SCHEMBL9208427

SCHEMBL9208427

CCCc1nc(-n2c(C)ccc2C)c(C#N)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSK P43235 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
GRM5 P41594 1/20 0.32
PDE5A O76074 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL9205408 0.84 ALDH1A1 (0.42) ALDH1A1MAPK1ADORA3ADORA2AADORA1
SCHEMBL9198235 0.79 ADORA3 (0.36) MAPK1ADORA3ADORA2AADORA1KDM4E
SCHEMBL9202020 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1ADORA3ADORA2AADORA1
SCHEMBL9198148 0.75 KDM4C (0.37) MAPK1ADORA3ADORA2AADORA1KDM4E
SCHEMBL9202655 0.71 MYC (0.41) ALDH1A1MAPK1KDM4EL3MBTL1
SCHEMBL9202052 0.70 AGTR1 (0.39) ALDH1A1MAPK1L3MBTL1
SCHEMBL6466823 0.70 MAPK1 (0.79) ALDH1A1MAPK1ADORA3ADORA2AADORA1
SCHEMBL7232841 0.70 ALDH1A1 (0.53) ALDH1A1MAPK1ADORA3ADORA2AADORA1
SCHEMBL9210475 0.69 AGTR1 (0.41) ALDH1A1MAPK1ADORA3ADORA2AADORA1
SCHEMBL9210483 0.69 AGTR1 (0.41) ALDH1A1MAPK1ADORA3ADORA2AADORA1

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