SCHEMBL7495778

SCHEMBL7495778

CC(C)(c1ccc(C(=O)c2ccccc2)cc1)c1n[nH]c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
FABP6 P51161 1/20 0.43
SRD5A2 P31213 2/20 0.40
EZH2 Q15910 1/20 0.39
ELANE P08246 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 2/20 0.37
VNN1 O95497 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PBRM1 Q86U86 1/20 0.36
MPO P05164 1/20 0.36
SCD O00767 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL7487352 0.88 PBRM1 (0.43) ABL1FABP6SRD5A2ALDH1A1RAB9A
SCHEMBL7488208 0.81 KMT2A (0.41) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL11420172 0.75 ALDH1A1 (0.61) SRD5A2ELANEALDH1A1RAB9ANPC1
SCHEMBL2578134 0.73 ALDH1A1 (0.46) ABL1FABP6SRD5A2ALDH1A1POLB
SCHEMBL7495774 0.72 XDH (0.43) ALDH1A1RAB9ANPC1SCDMEN1
SCHEMBL7938401 0.70 ESR1 (0.68) SRD5A2ELANEALDH1A1RAB9ANPC1
SCHEMBL195282 0.69 SRD5A2 (0.77) SRD5A2ELANEALDH1A1RAB9ANPC1
SCHEMBL677046 0.69 ALDH1A1 (0.61) SRD5A2ELANEALDH1A1RAB9ANPC1
SCHEMBL7940672 0.68 HPGD (0.51) SRD5A2ELANEALDH1A1RAB9ANPC1
Bisphenol A SCHEMBL5053970 0.68 ESR1 (0.70) SRD5A2ELANEALDH1A1RAB9ANPC1

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