SCHEMBL9388694

SCHEMBL9388694

COC(=O)C(=CO)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 3/20 0.41
F2R P25116 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL9388690 1.00 KMT2A (0.42) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL8200609 0.85 NPC1 (0.41) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL8200612 0.85 NPC1 (0.41) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL9152862 0.85 NPC1 (0.41) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL15173968 0.82 F2R (0.49) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL15173967 0.82 F2R (0.49) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL1426457 0.81 NPC1 (0.44) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL1426456 0.81 NPC1 (0.44) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL8461319 0.81 NPC1 (0.44) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL5998396 0.79 ALDH1A1 (0.42) KMT2AMEN1HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307101-B1 Chemical process ZENECA LTD (GB) 1994-02-02 EP disclosed
US-4937374-A Process for preparing methyl 3-methoxy-2-(2-phenoxyphenyl)propenoalis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-26 US disclosed
EP-0307101-A2 Chemical process ZENECA LIMITED (GB) 1989-03-15 EP disclosed