SCHEMBL14600369

SCHEMBL14600369

CC(C)n1ccn(Cc2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPK14 Q16539 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ADORA2B P29275 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PDE1A P54750 1/20 0.42
▸ PDE1B Q01064 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ NOTUM Q6P988 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ CTSG P08311 1/20 0.41

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
SCHEMBL27784187 0.85 VEGFA (0.43) KMT2ASMN1; SMN2HTTTP53KDM4E
SCHEMBL27994026 0.85 VEGFA (0.43) KMT2ASMN1; SMN2HTTTP53KDM4E
SCHEMBL27478800 0.81 F2 (0.54) KMT2ASMN1; SMN2HTTTP53KDM4E
SCHEMBL7519636 0.77 KMT2A (0.52) KMT2AKDM4EHPGDMEN1MAPT
SCHEMBL7521742 0.77 HTT (0.45) KMT2ASMN1; SMN2HTTTP53KDM4E
SCHEMBL22252623 0.77 TP53 (0.47) KMT2ASMN1; SMN2HTTTP53KDM4E
SCHEMBL8301883 0.77 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2HTTTP53KDM4E
SCHEMBL10072552 0.74 GSK3A (0.34) ALDH1A1ADORA2BMAPT
SCHEMBL10077158 0.73 KDM4E (0.47) KMT2ASMN1; SMN2HTTTP53KDM4E
SCHEMBL25045667 0.72 BRD4 (0.36) SMN1; SMN2ALDH1A1ADORA2BPDE1APDE1B

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
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 — — US disclosed
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