SCHEMBL7495774

SCHEMBL7495774

CC(C)(c1ccc(-c2ccccc2C=O)cc1)c1n[nH]c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
TRPV1 Q8NER1 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CDK4 P11802 1/20 0.31
CDK2 P24941 1/20 0.31
MAOA P21397 1/20 0.31
SCD O00767 1/20 0.31
KMT2A Q03164 3/20 0.30
MEN1 O00255 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPC1 O15118 1/20 0.30
NR2F2 P24468 1/20 0.30
RAB9A P51151 1/20 0.30
MITF O75030 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL7487346 0.87 XDH (0.36) XDHTRPV1
SCHEMBL7488208 0.80 KMT2A (0.41) XDHALDH1A1MAOAKMT2AMEN1
SCHEMBL3371015 0.72 XDH (0.47) XDHALDH1A1SCDKMT2AMEN1
SCHEMBL7495778 0.72 ABL1 (0.43) ALDH1A1SCDKMT2AMEN1NPC1
SCHEMBL23367029 0.70 XDH (0.45) XDHALDH1A1SCDKMT2AMEN1
SCHEMBL30497064 0.68 LMNA (0.60) XDHALDH1A1KMT2AMEN1LMNA
SCHEMBL11768743 0.68 LMNA (0.60) XDHALDH1A1KMT2AMEN1LMNA
SCHEMBL643994 0.67 XDH (0.51) XDHALDH1A1KMT2AMEN1LMNA
SCHEMBL416843 0.66 KIF11 (0.50) XDHALDH1A1KMT2AMEN1KDM4E
SCHEMBL7999948 0.66 XDH (0.55) XDHALDH1A1KMT2AMEN1LMNA

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-1201661-A1 HETEROAROMATIC RING COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-02 EP disclosed