SCHEMBL13355240

SCHEMBL13355240

CN(C(=O)c1ccncc1)c1ccc(C(=O)N2CCC(C)(C)CC(C)(C)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.48
MLYCD O95822 1/20 0.44
CYP2D6 P10635 7/20 0.43
CYP2C9 P11712 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 3/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 9/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 2/20 0.40
HPGD P15428 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL2897312 0.74 ALDH1A1 (0.58) KMT2AALDH1A1
SCHEMBL13355237 0.71 PLA2G1B (0.45) KDM4EKMT2AALDH1A1HPGDNAMPT
SCHEMBL29123175 0.71 KDM4E (0.82) KDM4EKMT2AMLYCDHSD17B10TSHR
SCHEMBL14297349 0.70 PKM (0.61) KMT2AUSP2ALDH1A1HPGD
SCHEMBL4818087 0.68 CRBN (0.56) CYP2D6CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL4818101 0.68 CRBN (0.56) CYP2D6CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL4815807 0.67 MAPK1 (0.57) KMT2ACYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL4815797 0.67 MAPK1 (0.57) KMT2ACYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL19159945 0.67 CYP3A4 (0.68) KMT2ACYP2D6CYP2C9HSD17B10TSHR
SCHEMBL10801846 0.67 KDM4E (1.00) KDM4EKMT2AMLYCDHSD17B10

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-1787982-B1 11Beta-Hydroxysteroid dehydrogenase type 1 active compounds HIGH POINT PHARMACEUTICALS LLC (US) 2010-05-12 EP disclosed