SCHEMBL171171

SCHEMBL171171

Cc1cc(C(F)(F)F)ccc1CI

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.46
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ PDE2A O00408 2/20 0.39
▸ KIF11 P52732 3/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ PTPN5 P54829 1/20 0.35
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ POLQ O75417 1/20 0.35

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
SCHEMBL14496455 0.86 IDO1 (0.40) DAOIDO1PDE2AKIF11NOTUM
SCHEMBL21945440 0.81 DAO (0.47) DAORXRARXRBRXRGIDO1
SCHEMBL12603811 0.81 DAO (0.51) DAORXRARXRBRXRGIDO1
SCHEMBL5111503 0.79 DAO (0.46) DAORXRARXRBRXRGIDO1
SCHEMBL1972143 0.79 DAO (0.46) DAORXRARXRBRXRGIDO1
SCHEMBL5112247 0.79 DAO (0.46) DAORXRARXRBRXRGIDO1
SCHEMBL30617195 0.79 DAO (0.46) DAORXRARXRBRXRGIDO1
SCHEMBL18294991 0.79 DAO (0.46) DAORXRARXRBRXRGIDO1
SCHEMBL17864260 0.79 IDO1 (0.58) DAOIDO1PDE2ASLC6A4PTPN5
SCHEMBL17864251 0.79 DAO (0.46) DAORXRARXRBRXRGIDO1

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
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 — — EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
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