SCHEMBL11049334

SCHEMBL11049334

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ABCB1 P08183 1/20 0.42
KAT6A Q92794 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PYGL P06737 2/20 0.40
TP53 P04637 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
SCHEMBL10656284 0.89 HPGD (0.50) KMT2APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL6373576 0.83 CPS1 (0.49) KMT2ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL5990108 0.79 NPC1 (0.53) KMT2APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL3308492 0.78 KDM4E (0.58) KMT2APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL4935615 0.78 NPC1 (0.60) KMT2APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL11049604 0.75 MAPT (0.49) KMT2APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL11045406 0.75 KMT2A (0.48) KMT2APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL10992317 0.75 SMN1; SMN2 (0.45) KMT2APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL10660474 0.75 KMT2A (0.61) KMT2APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL2591122 0.74 HPGD (0.65) KMT2ASMN1; SMN2NPC1ALDH1A1KDM4E

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