SCHEMBL387114

SCHEMBL387114

CC(C)(C)OC(=O)c1cc2ccccc2n1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
NR1H2 P55055 8/20 0.41
DAO P14920 1/20 0.41
NR1H3 Q13133 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G10 O15496 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NOD2 Q9HC29 3/20 0.38
NOD1 Q9Y239 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC9A1 P19634 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL28812065 0.85 MTNR1A (0.50) MCL1DAOALDH1A1TSHRPLA2G10
SCHEMBL17995256 0.82 MCL1 (0.61) MCL1DAOMEN1KMT2ASLC9A1
SCHEMBL2463108 0.81 NOD2 (0.57) MCL1ALDH1A1TSHRNOD2NOD1
SCHEMBL30995238 0.81 NOD2 (0.57) MCL1ALDH1A1TSHRNOD2NOD1
SCHEMBL6049263 0.81 MCL1 (0.44) MCL1NR1H2DAONR1H3ALDH1A1
SCHEMBL29524946 0.79 NR1H2 (0.55) NR1H2NR1H3CA12CA9NOD2
SCHEMBL16598514 0.79 DAO (0.49) MCL1DAOALDH1A1TSHRPLA2G10
SCHEMBL19410240 0.79 KMT2A (0.52) MCL1NR1H2ALDH1A1NOD2NOD1
SCHEMBL5188329 0.78 DAO (0.61) MCL1DAOALDH1A1TSHRPLA2G10
SCHEMBL28732915 0.76 PLA2G10 (0.56) MCL1DAOALDH1A1TSHRPLA2G10

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-2408761-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2012-01-25 EP disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed