SCHEMBL6169791

SCHEMBL6169791

CCCCC(CC)c1c(-c2ccsc2)ccn1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CTSK P43235 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ CHEK2 O96017 1/20 0.30
▸ CYP17A1 P05093 1/20 0.30
▸ NOTCH1 P46531 1/20 0.30
▸ RBPJ Q06330 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ GPR35 Q9HC97 1/20 0.30
▸ FAAH O00519 1/20 0.30

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
SCHEMBL6178151 0.83 BRS3 (0.36) MEN1MAPTKMT2AKDM4ECA2
SCHEMBL6179839 0.82 HRH3 (0.34) MEN1MAPTKMT2AKDM4ECA1
SCHEMBL6181565 0.81 PARP1 (0.38) MEN1KMT2AMMP2MMP3KDM4E
SCHEMBL6175833 0.81 CYP11B1 (0.39) KMT2ACTSKKDM4E
SCHEMBL6176428 0.80 KDM4E (0.39) MEN1USP2MAPTALOX15KMT2A
SCHEMBL6180925 0.80 PARP1 (0.42) HSD17B10MMP2MMP3KDM4EFAAH
SCHEMBL6180903 0.79 ICMT (0.38) MAPT
SCHEMBL6179349 0.77 ICMT (0.34) MEN1MAPTKMT2ANOTCH1RBPJ
SCHEMBL6168308 0.76 CA2 (0.37) KDM4ECA1CA2
SCHEMBL6169180 0.76 KDM4E (0.36) MEN1USP2MAPTALOX15KMT2A

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
EP-1542999-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY Pharmacia & Upjohn Company LLC (US) 2005-06-22 — — EP disclosed
WO-2004013137-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-12 — — WO disclosed
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