SCHEMBL9043552

SCHEMBL9043552

Cc1ccc(-c2c(C#N)ccn2C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.41
MAOB P27338 5/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
AR P10275 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGS2 P35354 1/20 0.36
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
AURKB Q96GD4 1/20 0.36
CYP2A6 P11509 1/20 0.35
KDM5A P29375 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35

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
SCHEMBL9042787 0.73 MAOA (0.41) MAOAMAOBALDH1A1KDM4EAR
SCHEMBL9041246 0.71 MAOA (0.43) MAOAMAOBALDH1A1KDM4ETDP1
SCHEMBL12752155 0.66 PGR (0.39) ALDH1A1KDM4ETDP1AR
SCHEMBL9042779 0.64 MAOB (0.42) MAOAMAOBALDH1A1KDM4ETDP1
SCHEMBL9042111 0.63 MAOA (0.58) MAOAMAOBALDH1A1KDM4EAR
SCHEMBL9043576 0.63 MAOA (0.41) MAOAMAOBALDH1A1KDM4EAR
SCHEMBL21725642 0.61 HTR2A (0.36) ALDH1A1KDM4ETDP1ARNPC1
SCHEMBL18406716 0.61 AR (0.62) MAOAMAOBALDH1A1KDM4EAR
SCHEMBL19608809 0.61 AR (0.53) MAOAMAOBALDH1A1KDM4EAR
SCHEMBL942 0.61 TSHR (0.46) MAOAMAOBALDH1A1KDM4EAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480204-B1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO (JP) 1996-03-20 EP disclosed
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
US-5210092-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
EP-0480204-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed