SCHEMBL28229264

SCHEMBL28229264

COC(=O)c1ccc(SCC(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 3/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 3/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
CYP4A11 Q02928 2/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 1/20 0.42
MGLL Q99685 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2585292 0.85 KMT2A (0.49) KMT2AALDH1A1RAB9AMAPTCA1
SCHEMBL1253696 0.83 KMT2A (0.48) KMT2AALDH1A1RAB9AMAPTCA1
SCHEMBL1018393 0.83 KMT2A (0.48) KMT2AALDH1A1RAB9AMAPTCA1
SCHEMBL1018394 0.83 KMT2A (0.48) KMT2AALDH1A1RAB9AMAPTCA1
SCHEMBL22638677 0.79 TSHR (0.46) ALDH1A1CA1CA2CA12CA7
SCHEMBL7050165 0.79 RAB9A (0.54) KMT2AALDH1A1RAB9AMAPTCA1
SCHEMBL4415560 0.77 CA1 (0.52) KMT2AALDH1A1RAB9AMAPTCA1
SCHEMBL10737651 0.77 KMT2A (0.55) KMT2AALDH1A1RAB9AMAPTCA1
SCHEMBL28735310 0.77 PARP10 (0.39) KMT2AALDH1A1MAPTCA1CA2
SCHEMBL4414189 0.76 MAPT (0.55) KMT2AALDH1A1RAB9AMAPTCA1

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
CN-108349949-A N- substituted indole derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2018-07-31 CN disclosed