SCHEMBL11780806

SCHEMBL11780806

CCCC(C)N(C(=O)c1cccc(Br)c1)C(C)CCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ PARP1 P09874 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ CHRNA1 P02708 1/20 0.43
▸ CHRNG P07510 1/20 0.43
▸ CHRNB1 P11230 1/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ CHRND Q07001 1/20 0.43

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
SCHEMBL11785405 0.88 PARP1 (0.47) L3MBTL1PARP1ALDH1A1SMN1; SMN2NPC1
SCHEMBL11784202 0.84 ALDH1A1 (0.55) PARP1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL23682899 0.76 SLC6A2 (0.52) L3MBTL1PARP1ALDH1A1SMN1; SMN2NPC1
SCHEMBL11783170 0.76 TSHR (0.54) SLC6A2SLC6A3TSHR
SCHEMBL11779710 0.74 ALDH1A1 (0.45) L3MBTL1PARP1ALDH1A1SMN1; SMN2NPC1
SCHEMBL14229231 0.74 L3MBTL1 (0.40) L3MBTL1PARP1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4300450 0.74 HPGD (0.69) L3MBTL1PARP1ALDH1A1SMN1; SMN2NPC1
SCHEMBL29852161 0.73 PARP1 (0.57) L3MBTL1PARP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL1368532 0.73 PARP1 (0.57) L3MBTL1PARP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL11779231 0.73 SLC6A2 (0.43) ALDH1A1SLC6A2SLC6A3POLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 — — US disclosed
US-3982931-A N,N-di-sec.butyl-benzamide herbicides MONTEDISON S.P.A. (IT) 1976-09-28 — — US disclosed
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