SCHEMBL6019685

SCHEMBL6019685

CC(Cl)(C=O)Cc1ccc(C(Br)c2ccc(C(=O)C(C)(C)Cl)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL480373 0.83 GSK3B (0.35) MEN1KMT2ASMN1; SMN2NR1H4CYP2C9
SCHEMBL1446152 0.81 MAPK14 (0.39) THRATHRBMEN1RAB9AKMT2A
SCHEMBL11799845 0.75 ALDH1A1 (0.48) THRATHRBMEN1KMT2ASMN1; SMN2
SCHEMBL27645545 0.73 GSK3B (0.35) MEN1KMT2ASMN1; SMN2NR1H4CYP2C9
SCHEMBL4416120 0.73 MLYCD (0.34) NR1H4CYP2C9
SCHEMBL480646 0.72 ACHE (0.36) MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL27625178 0.72 MLYCD (0.36) MEN1RAB9AKMT2ASMN1; SMN2NR1H4
SCHEMBL3682129 0.69 PLK1 (0.40) THRATHRBKMT2AEPHX2NR1H4
SCHEMBL480674 0.69 KMT2A (0.54) THRATHRBMEN1KMT2AEPHX2
SCHEMBL4418071 0.68 CA2 (0.36) NR1H4CYP2C9

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-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed