SCHEMBL9684092

SCHEMBL9684092

Cc1ccc(-c2[nH]cc(CCBr)c2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
LRRK2 Q5S007 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE9A O76083 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ADORA1 P30542 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
ACVR1 Q04771 1/20 0.33
PDE1C Q14123 1/20 0.33
ADORA2A P29274 1/20 0.33
ERBB2 P04626 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
SCHEMBL9684562 0.71 POLB (0.43) POLBLRRK2ALDH1A1HPGDKDM4E
SCHEMBL25225077 0.64 KDM4E (0.41) ALDH1A1KDM4ENPSR1ADORA1ERBB2
SCHEMBL9684081 0.63 POLB (0.48) POLBALDH1A1HPGDKDM4EMAOA
SCHEMBL9040621 0.62 MAOA (0.47) POLBLRRK2ALDH1A1KDM4EMAOA
SCHEMBL9042248 0.61 LRRK2 (0.43) LRRK2ALDH1A1HPGDKDM4EMAOA
SCHEMBL10919832 0.60 HTR2A (0.71) KMT2AMEN1
SCHEMBL18932886 0.60 HTR2A (0.71) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL29019631 0.60 MCL1 (0.41) LRRK2ALDH1A1HPGDKDM4ENPSR1
SCHEMBL1905542 0.60 ADORA1 (0.46) POLBLRRK2ALDH1A1HPGDKDM4E
SCHEMBL19676926 0.60 CYP1A2 (0.50) KMT2AMEN1CYP2A6CYP1A2

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-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed