SCHEMBL11183196

SCHEMBL11183196

Cc1cccc(C)c1NCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ HTT P42858 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 5/20 0.48
▸ GAA P10253 1/20 0.48
▸ CXCR3 P49682 1/20 0.47
▸ GSK3B P49841 2/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ ERCC5 P28715 1/20 0.45
▸ FEN1 P39748 1/20 0.45
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11274238 0.85 ALDH1A1 (0.55) AGTR1MEN1KMT2AALDH1A1RAB9A
SCHEMBL6203064 0.75 ALDH1A1 (0.56) AGTR1MEN1KMT2AALDH1A1RAB9A
SCHEMBL11123393 0.75 RXFP1 (0.59) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL23014348 0.74 HPGD (0.59) AGTR1MEN1KMT2AALDH1A1RAB9A
SCHEMBL2295610 0.73 GSK3B (0.57) AGTR1MEN1KMT2AALDH1A1RAB9A
SCHEMBL2582559 0.73 PTGS2 (0.49) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL15524678 0.73 MEN1 (0.50) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL14830961 0.72 ERCC5 (0.58) AGTR1MEN1KMT2AALDH1A1RAB9A
Bromide SCHEMBL2582738 0.72 PTGS2 (0.47) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL11273478 0.72 DRD2 (0.46) MEN1KMT2AALDH1A1MAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4422866-A N,N'-DISUBSTITUTED PIPERAZINES BAYER AKTIENGESELLSCHAFT (DE) 1983-12-27 — — US disclosed
US-4392882-A N-N-Bis(haloacyl)-diaza-cycloalkanes for protecting plants from herbicide damage BAYER AKTIENGESELLSCHAFT (DE) 1983-07-12 — — US disclosed
US-4312664-A N,N-DIALLYL-DICHLOROACETAMIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-01-26 — — US disclosed
EP-0023306-A1 N-(Alpha-chloropropionyl)-1,2,3,4-tetrahydro-quinaldine, process for its preparation and its use as antidote in preventing damage to crops by herbicides BAYER AG (DE) 1981-02-04 — — EP disclosed
EP-0023305-A1 Use of N,N'-bis(halogen-acyl)-diaza-cycloalkanes for the protection of cultivated plants against damage by herbicides BAYER AG (DE) 1981-02-04 — — EP disclosed
EP-0023307-A1 N-(alpha-chloropropionyl)-1,2,3,4-tetrahydroisoquinoline, process for its preparation and its use as antidote in the protection of crop plants against damage by herbicides BAYER AG (DE) 1981-02-04 — — EP disclosed
EP-0023287-A1 Antidote for the protection of cultivated plants against damage by herbicides BAYER AG (DE) 1981-02-04 — — EP disclosed
EP-0000051-B1 N-ACYLMETHYL-CHLOROACETANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES. BAYER AG (DE) 1980-09-17 — — EP disclosed
EP-0006541-A2 Use of N,N-diallyl-dichloroacetamide for improving the protection of crop plants against herbicidally active acetanilides BAYER AG (DE) 1980-01-09 — — EP disclosed
EP-0006542-A2 The use of N-dichloroacetyl-1,2,3,4-tetrahydroisoquinolin as antidote for the protection of cultivated plants against damage caused by herbicidally active acetanilides; combinations thus obtained and process for their preparation BAYER AG (DE) 1980-01-09 — — EP disclosed
EP-0006540-A1 N-Dichloroacetyl-1,2,3,4-tetrahydroquinaldine, process for obtaining it, its use for preventing crops from being damaged by herbicides and selective herbicidal compositions based on N-dichloroacetyl-1,2,3,4-tetrahydroquinaldine and herbicidal acetanilides or thiolcarbamates BAYER AG (DE) 1980-01-09 — — EP disclosed
EP-0000051-A1 N-acylmethyl-chloroacetanilides, process for their preparation and their use as herbicides. BAYER AG (DE) 1978-12-20 — — EP disclosed
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