SCHEMBL6928202

SCHEMBL6928202

CCC(=O)Cl.Cn1c(-c2ccc(Cl)cc2)cc2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
ACLY P53396 2/20 0.42
AHR P35869 1/20 0.42
CHRNA7 P36544 1/20 0.41
PTGES O14684 2/20 0.41
PHGDH O43175 4/20 0.40
CYP19A1 P11511 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7799883 0.87 KMT2A (0.50) RXFP1ACLYAHRPHGDHCYP19A1
SCHEMBL22004113 0.82 ACLY (0.60) RXFP1ACLYAHRPHGDHCYP19A1
SCHEMBL31400972 0.79 ACLY (0.51) RXFP1ACLYPHGDHCYP19A1KMT2A
SCHEMBL3381195 0.79 ACLY (0.51) RXFP1ACLYPHGDHCYP19A1KMT2A
SCHEMBL22004299 0.78 ACLY (0.59) RXFP1ACLYAHRPHGDH
SCHEMBL8942357 0.77 KMT2A (0.66) ACLYPHGDHCYP19A1KMT2AMEN1
SCHEMBL11686956 0.76 KMT2A (0.46) RXFP1CYP19A1KMT2A
SCHEMBL6707155 0.76 MAPT (0.46) RXFP1ACLYLMNAL3MBTL1
SCHEMBL22021620 0.75 ACLY (0.50) ACLYCYP19A1KMT2AL3MBTL1
SCHEMBL17199055 0.75 BRPF1 (0.47) RXFP1AHRPTGESCYP19A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518273-B1 2-aryl indole derivative as antagonists of tachykinins MERCK SHARP & DOHME LTD. 2003-02-11 US disclosed
WO-2000051984-A1 2-ARYL INDOLE DERIVATIVES AS ANTAGONISTS OF TACHYKININS MERCK SHARP & DOHME LIMITED (GB) 2000-09-08 WO disclosed