SCHEMBL10656284

SCHEMBL10656284

COc1cc(O)c(C(=O)c2ccccc2F)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
LMNA P02545 4/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
CHRM1 P11229 1/20 0.44
ALOX15 P16050 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL11049334 0.89 KMT2A (0.49) HPGDLMNAMAPTKDM4EKMT2A
SCHEMBL6269975 0.81 LMNA (0.75) HPGDLMNAMAPTCYP3A4KDM4E
SCHEMBL10661318 0.80 SMN1; SMN2 (0.40) HPGDLMNAMAPTCYP3A4KDM4E
SCHEMBL10661325 0.80 SMN1; SMN2 (0.40) HPGDLMNAMAPTCYP3A4KDM4E
SCHEMBL11049604 0.76 MAPT (0.49) HPGDLMNAMAPTCYP3A4KDM4E
SCHEMBL29238855 0.76 NPC1 (0.55) HPGDLMNAMAPTCYP3A4KDM4E
SCHEMBL2586221 0.75 LMNA (0.70) HPGDLMNAMAPTCYP3A4KDM4E
SCHEMBL7367690 0.74 SLC22A6 (0.66) HPGDLMNAMAPTCYP3A4KDM4E
SCHEMBL5990108 0.74 NPC1 (0.53) HPGDLMNAMAPTKDM4EKMT2A
SCHEMBL7340588 0.74 LMNA (0.59) HPGDLMNAMAPTCYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728662-A DIURETICS, URICOSURICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-03-01 US disclosed
US-4673746-A DIURETICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-16 US disclosed
US-4487934-A Method of preparing poly-substituted acylbenzenes HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1984-12-11 US disclosed
EP-0041682-B1 A METHOD OF PREPARING POLY-SUBSTITUTED ACYLBENZENES HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-09-21 EP disclosed
EP-0045478-A1 A method of preparing poly-substituted acylbenzenes HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-02-10 EP disclosed
EP-0041682-A1 A method of preparing poly-substituted acylbenzenes HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1981-12-16 EP disclosed
US-4304941-A Method of preparing poly-substituted acylbenzenes HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1981-12-08 US disclosed