SCHEMBL9924209

SCHEMBL9924209

CC1OCc2cccc(Oc3ccc(NC(=O)[C@@H](C)N)cn3)c21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.40
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTR2C P28335 5/20 0.38
HTR2B P41595 2/20 0.38
MEN1 O00255 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
NAMPT P43490 3/20 0.36
LTA4H P09960 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
HTR2A P28223 1/20 0.35
GABRA5 P31644 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
BIRC2 Q13490 1/20 0.34

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
SCHEMBL15303103 0.90 AAK1 (0.38) KMT2AALDH1A1POLBHTR2CHTR2B
SCHEMBL9924038 0.88 XIAP (0.38) XIAPKMT2AALDH1A1POLBHTR2C
SCHEMBL15303177 0.83 HTR2C (0.39) KMT2AALDH1A1POLBHTR2CHTR2B
SCHEMBL20906305 0.83 HTR2C (0.39) KMT2AALDH1A1POLBHTR2CHTR2B
SCHEMBL9924210 0.80 CA12 (0.41) KMT2AALDH1A1POLBHTR2CHTR2B
SCHEMBL29438007 0.80 CA12 (0.41) KMT2AALDH1A1POLBHTR2CHTR2B
SCHEMBL19376291 0.80 KMT2A (0.34) KMT2AALDH1A1POLBHTR2CHTR2B
SCHEMBL9905729 0.79 AAK1 (0.38) KMT2AALDH1A1POLBHTR2CHTR2B
SCHEMBL9905746 0.78 KEAP1 (0.51) KMT2AALDH1A1POLBMEN1SMN1; SMN2
SCHEMBL1979857 0.76 KEAP1 (0.55) XIAPKMT2AALDH1A1POLBHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed