SCHEMBL9684562

SCHEMBL9684562

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
LRRK2 Q5S007 1/20 0.38
PDE10A Q9Y233 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ERBB2 P04626 1/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
PDE9A O76083 4/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
ACVR1 Q04771 1/20 0.35
PDE1C Q14123 1/20 0.35
KDM5A P29375 1/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP2A6 P11509 1/20 0.34
KMT2A Q03164 3/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL9684092 0.71 POLB (0.40) POLBLRRK2MAOAMAOBERBB2
SCHEMBL9684667 0.69 POLB (0.48) POLBPDE10AMAOAMAOBERBB2
SCHEMBL9683351 0.69 POLB (0.48) POLBPDE10AMAOAMAOBERBB2
SCHEMBL19913900 0.67 KDM4E (0.46) POLBADORA1ADORA2AALDH1A1KMT2A
SCHEMBL25225077 0.67 KDM4E (0.41) ERBB2ADORA1ALDH1A1KMT2AGAA
SCHEMBL9040621 0.65 MAOA (0.47) POLBLRRK2MAOAMAOBERBB2
SCHEMBL28829325 0.64 KDM4E (0.38) ALDH1A1CYP2A6KMT2AMEN1MAPT
SCHEMBL13437803 0.64 GABRA1 (0.48) ALDH1A1KMT2AGAAMEN1MAPT
SCHEMBL19913901 0.64 KDM4E (0.46) POLBADORA1ADORA2APIM1ALDH1A1
SCHEMBL1905542 0.63 ADORA1 (0.46) POLBLRRK2ERBB2ADORA1ADORA2A

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