SCHEMBL4030896

SCHEMBL4030896

CNC(=O)c1c(OC)ccc2cc(Br)ccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.53
POLB P06746 2/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NCEH1 Q6PIU2 3/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.45
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MCL1 Q07820 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PLK1 P53350 1/20 0.42

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
SCHEMBL11509901 0.85 RXFP1 (0.55) RXFP1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL11507377 0.84 POLB (0.56) RXFP1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL4049195 0.84 POLB (0.56) RXFP1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL4025646 0.82 NCEH1 (0.44) RXFP1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL4027557 0.81 ERN1 (0.50) RXFP1NCEH1KDM4EMAPTALDH1A1
SCHEMBL14052792 0.80 POLB (0.62) RXFP1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL8573506 0.78 POLB (0.56) RXFP1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL4053463 0.78 POLB (0.49) RXFP1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL14052437 0.77 POLB (0.55) RXFP1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL3015172 0.77 HSD17B1 (0.67) MAPTCYP1A2CYP2C9CYP2C19PLK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222174-B1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA PHARMACEUTICAL (JP) 2009-05-27 EP disclosed
US-6649643-B1 Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-18 US disclosed
EP-1222174-A1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE Takeda Chemical Industries, Ltd. (JP) 2002-07-17 EP disclosed
WO-2001030762-A1 IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-03 WO disclosed