SCHEMBL11049604

SCHEMBL11049604

COc1ccc(C(=O)c2ccccc2F)c(O)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 2/20 0.49
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 2/20 0.48
CDC25B P30305 1/20 0.43
HPGD P15428 4/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RECQL P46063 1/20 0.42
GRM2 Q14416 1/20 0.42
KAT6A Q92794 1/20 0.40
HTT P42858 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
SCHEMBL11045406 0.86 KMT2A (0.48) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL10663306 0.84 MAPT (0.50) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL10661825 0.83 MAPT (0.52) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL11244683 0.78 SMN1; SMN2 (0.51) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL10567455 0.77 SMN1; SMN2 (0.54) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL10656284 0.76 HPGD (0.50) MAPTKDM4EHSD17B10ALOX15KMT2A
SCHEMBL11049334 0.75 KMT2A (0.49) MAPTKDM4EKMT2APOLBSMN1; SMN2
SCHEMBL9518286 0.75 MAPT (0.66) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL1832009 0.75 MAPT (0.49) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL4935615 0.74 NPC1 (0.60) MAPTALOX15KMT2APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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