SCHEMBL9964985

SCHEMBL9964985

CCCOc1ccc(N)c2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
CSNK2A1 P68400 2/20 0.36
ASH1L Q9NR48 1/20 0.36
TLR8 Q9NR97 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL9970790 0.86 ASH1L (0.38) MAPTKDM4EMEN1USP2ALDH1A1
SCHEMBL9936724 0.84 ASH1L (0.41) MAPTMEN1ALDH1A1KMT2AASH1L
SCHEMBL9970789 0.83 HTR1B (0.41) KDM4EALDH1A1GAAASH1L
SCHEMBL9964964 0.83 ROCK2 (0.44) KDM4ENOS3NOS1
SCHEMBL9965019 0.78 NOS3 (0.46) KDM4EMEN1USP2ALDH1A1KMT2A
SCHEMBL6194739 0.78 IDO1 (0.50) MAPTKDM4EMEN1ALDH1A1POLB
SCHEMBL9965026 0.77 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL9964987 0.76 SMN1; SMN2 (0.46) KDM4ECYP1A2CYP2C19HSD17B10CYP2D6
SCHEMBL9965020 0.74 LMNA (0.45) KDM4EMEN1ALDH1A1POLBHTT
SCHEMBL9964986 0.74 BRD4 (0.49) MAPTKDM4EMEN1USP2ALDH1A1

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-2012080288-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2012-06-21 WO disclosed