SCHEMBL9202020

SCHEMBL9202020

CCCc1nc(-n2cccc2)c(C#N)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
CTSK P43235 1/20 0.31
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL9205038 0.91 ALDH1A1 (0.56) ALDH1A1MAPK1AGTR1AGTR2
SCHEMBL9200311 0.78 ADORA3 (0.37) AGTR1AGTR2ADORA3ADORA2AADORA1
SCHEMBL9208427 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2ADORA3ADORA2A
SCHEMBL9205408 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2ADORA3ADORA2A
SCHEMBL9200290 0.74 POLB (0.36) ADORA3ADORA2AADORA1KMT2APOLB
SCHEMBL9202052 0.74 AGTR1 (0.39) ALDH1A1MAPK1AGTR1AGTR2POLB
SCHEMBL9202104 0.71 AGTR1 (0.47) ALDH1A1MAPK1AGTR1AGTR2SMN1; SMN2
SCHEMBL7232841 0.71 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2ADORA3ADORA2A
SCHEMBL6466823 0.71 MAPK1 (0.79) ALDH1A1MAPK1SMN1; SMN2ADORA3ADORA2A
SCHEMBL9201988 0.70 AGTR1 (0.47) ALDH1A1MAPK1AGTR1AGTR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643709-A1 4-(1-$i(H)-PYRROL-1-YL)IMIDAZOLES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY WARNER-LAMBERT COMPANY (US) 1995-03-22 EP claimed
US-5210211-A 4-(1H-PYRROL-1-YL) IMIDAZOLES WITH ANGIOTENSION II ANTAGONIST ACTIVITY WARNER-LAMBERT COMPANY (US) 1993-05-11 US claimed
WO-1993000341-A1 4-(1-H-PYRROL-1-YL)IMIDAZOLES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY WARNER-LAMBERT COMPANY (US) 1993-01-07 WO claimed
EP-0643709-A1 4-(1-$i(H)-PYRROL-1-YL)IMIDAZOLES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY WARNER-LAMBERT COMPANY (US) 1995-03-22 EP disclosed
US-5276048-A 4-(1H-pyrrol-1-yl)imidazoles with angiotensin II antagonist activity WARNER-LAMBERT COMPANY (US) 1994-01-04 US disclosed
US-5210211-A 4-(1H-PYRROL-1-YL) IMIDAZOLES WITH ANGIOTENSION II ANTAGONIST ACTIVITY WARNER-LAMBERT COMPANY (US) 1993-05-11 US disclosed
WO-1993000341-A1 4-(1-H-PYRROL-1-YL)IMIDAZOLES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY WARNER-LAMBERT COMPANY (US) 1993-01-07 WO disclosed