SCHEMBL27673140

SCHEMBL27673140

Cn1c2ccccc2c2ccc(N)c(-c3ccc(O)cc3)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
IDO1 P14902 1/20 0.46
RET P07949 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.44
FTO Q9C0B1 1/20 0.44
GPR3 P46089 1/20 0.42
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LIMK1 P53667 2/20 0.40
PABPC1 P11940 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL27673117 0.81 POLB (0.40) RETKMT2AKDM4EALDH1A1GAA
SCHEMBL27653158 0.80 RET (0.45) RETGPR3LMNAKMT2ASMN1; SMN2
SCHEMBL27673141 0.80 IDO1 (0.49) HSP90AA1IDO1ALKBH5FTOGPR3
SCHEMBL28762588 0.80 RET (0.51) HSP90AA1IDO1RETALKBH5FTO
SCHEMBL3883800 0.79 ALKBH5 (0.51) HSP90AA1IDO1ALKBH5FTOGPR3
SCHEMBL27653075 0.78 RET (0.46) HSP90AA1RETALKBH5FTOGPR3
SCHEMBL27046198 0.77 RET (0.57) RETALKBH5FTOGPR3LMNA
SCHEMBL27673143 0.76 RET (0.60) HSP90AA1IDO1RETALKBH5FTO
SCHEMBL27653183 0.76 RET (0.47) RETALKBH5FTOLMNAKMT2A
SCHEMBL3875043 0.75 ALKBH5 (0.55) HSP90AA1IDO1ALKBH5FTOGPR3

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-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed