SCHEMBL9042248

SCHEMBL9042248

Cc1ccc(-c2c(C#N)c[nH]c2CBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
MCL1 Q07820 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
AR P10275 1/20 0.36
PDE9A O76083 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 4/20 0.35
MAOA P21397 3/20 0.35
ERBB2 P04626 1/20 0.34
PDE1C Q14123 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CYP2A6 P11509 1/20 0.33

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
SCHEMBL9311703 0.70 DYRK1A (0.35) LRRK2MCL1IKBKBCHUK
SCHEMBL4914070 0.67 HSP90AB1 (0.43) LRRK2CYP11B2ARALDH1A1HSP90AB1
SCHEMBL5562294 0.67 LRRK2 (0.50) LRRK2MCL1ARALDH1A1KDM4E
SCHEMBL942 0.66 TSHR (0.46) LRRK2ARPDE9AALDH1A1KDM4E
SCHEMBL14154903 0.66 MCL1 (0.41) LRRK2MCL1ALDH1A1KDM4ENPSR1
SCHEMBL12670780 0.65 CHUK (0.47) LRRK2MCL1ALDH1A1KDM4ENPSR1
SCHEMBL17051410 0.64 ALDH1A1 (0.52) LRRK2CYP11B1CYP11B2ARPDE9A
SCHEMBL9040621 0.64 MAOA (0.47) LRRK2MCL1CYP11B1CYP11B2AR
SCHEMBL10536003 0.64 ALDH1A1 (0.46) CYP11B1CYP11B2ARPDE9AALDH1A1
SCHEMBL10533916 0.62 ESR2 (0.51) ALDH1A1KDM4ESMN1; SMN2NPSR1HPGD

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 1 patent. 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