SCHEMBL10344571

SCHEMBL10344571

O=C(Nc1cc[c]c(Cl)c1)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ HPGD P15428 4/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ KCNK3 O14649 1/20 0.50
▸ KCNK9 Q9NPC2 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ LMNA P02545 2/20 0.49

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
SCHEMBL10344536 0.92 KMT2A (0.55) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL10344574 0.81 MEN1 (0.68) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL693169 0.78 PTPN1 (0.69) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL2239611 0.77 HPGD (0.64) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL1448057 0.76 PTPN1 (0.66) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL2246607 0.76 MEN1 (0.69) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL125695 0.75 PTPN1 (0.89) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL1946708 0.75 NPSR1 (0.72) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL28656982 0.75 PTPN1 (0.89) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL12284611 0.74 PTPN1 (0.69) ALDH1A1HPGDPTPN1NPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 — — EP disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 — — US disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 — — EP disclosed
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