SCHEMBL849486

SCHEMBL849486

N#CC1(NC(=O)Cc2ccc(Cl)cc2Cl)CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 2/20 0.43
ANO1 Q5XXA6 4/20 0.41
ERCC1 P07992 3/20 0.40
ERCC4 Q92889 3/20 0.40
P2RX7 Q99572 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6765934 0.90 KMT2A (0.44) EPHX2SIGMAR1KMT2AANO1ERCC1
SCHEMBL6764649 0.88 KMT2A (0.46) SIGMAR1KMT2AANO1ERCC1ERCC4
SCHEMBL6766386 0.85 SIGMAR1 (0.44) EPHX2SIGMAR1KMT2AANO1ERCC1
SCHEMBL13385942 0.85 ALDH1A1 (0.48) EPHX2KMT2AANO1
SCHEMBL6766382 0.84 KMT2A (0.41) EPHX2SIGMAR1KMT2AANO1ERCC1
SCHEMBL10164756 0.83 KMT2A (0.42) EPHX2SIGMAR1KMT2AANO1P2RX7
SCHEMBL13938980 0.83 ANO1 (0.43) KMT2AANO1ERCC1ERCC4P2RX7
SCHEMBL16357932 0.76 ANO1 (0.49) KMT2AANO1
SCHEMBL6766304 0.74 SHMT1 (0.48) EPHX2SIGMAR1KMT2AERCC1ERCC4
SCHEMBL16302161 0.73 ANO1 (0.45) KMT2AANO1

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-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed