SCHEMBL13635115

SCHEMBL13635115

COc1cccc(Cn2c3ccccc3c3ccc(C=O)cc32)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ PTGER4 P35408 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ DNM1 Q05193 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TSPO P30536 1/20 0.48
▸ P2RX4 Q99571 1/20 0.48
▸ EDNRB P24530 1/20 0.46
▸ EDNRA P25101 1/20 0.46
▸ CMA1 P23946 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44
▸ CD74 P04233 1/20 0.44
▸ MIF P14174 1/20 0.44

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
SCHEMBL30616062 0.86 KMT2A (0.62) KMT2APOLBKDM4EDNM1ALDH1A1
SCHEMBL29093447 0.86 KMT2A (0.62) KMT2APOLBKDM4EDNM1ALDH1A1
SCHEMBL21365454 0.81 P2RX4 (0.72) KMT2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL28900325 0.80 CYP19A1 (0.58) KMT2APTGER4KDM4EALDH1A1P2RX4
SCHEMBL13062129 0.80 HCAR3 (0.55) KMT2APOLBPTGER4ALDH1A1TSPO
SCHEMBL13011250 0.79 MAPT (0.53) KMT2APOLBPTGER4KDM4EDNM1
SCHEMBL243322 0.77 MIF (0.73) KMT2APOLBALDH1A1CD74MIF
SCHEMBL19896378 0.76 PIK3R1 (0.53) KMT2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL689666 0.75 CYP19A1 (0.64) KMT2APOLBPTGER4KDM4EALDH1A1
SCHEMBL13011675 0.75 PLA2G2A (0.48) KMT2APOLBTSPOEDNRBEDNRA

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
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 — — EP disclosed
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