SCHEMBL18975372

SCHEMBL18975372

Cn1ccc2c(N)ccc(C(=O)O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 3/20 0.39
GFER P55789 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
MCL1 Q07820 1/20 0.38
GLA P06280 1/20 0.37
KEAP1 Q14145 1/20 0.37
ALDH1A1 P00352 6/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 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
SCHEMBL12566558 0.79 PTPN1 (0.36) KMT2AMAPTMEN1PTPN1CYP1A2
SCHEMBL23809439 0.77 ACE2 (0.49) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL13806232 0.75 MMP2 (0.44) KDM4EPOLBALDH1A1ALOX15CDC25B
SCHEMBL22408117 0.73 JAK2 (0.31) PTPN1
SCHEMBL25143702 0.72 PTPN1 (0.45) KDM4EKMT2AMAPTMEN1THRB
SCHEMBL14977223 0.71 F2RL1 (0.35) KMT2AMAPTMEN1USP2KEAP1
SCHEMBL23809437 0.70 ACE2 (0.49) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL14886437 0.70 MAPT (0.46) KDM4EMAPTTDP1POLBALDH1A1
SCHEMBL5138289 0.70 KDM4E (0.53) KDM4EKMT2AMAPTALDH1A1PTPN1
SCHEMBL14051377 0.70 KDM4E (0.36) KDM4EKMT2ATDP1PKMALDH1A1

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-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP disclosed