SCHEMBL10105429

SCHEMBL10105429

CN(C)c1cc2c3c(c1)CCCN3CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
RAD52 P43351 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 6/20 0.40
ABCB1 P08183 2/20 0.39
HTR2C P28335 2/20 0.39
GAA P10253 4/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.36
USP2 O75604 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
HPGD P15428 4/20 0.36
RECQL P46063 3/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 3/20 0.36
HSD17B10 Q99714 2/20 0.36
BLM P54132 2/20 0.36
PABPC1 P11940 1/20 0.36
ALOX15 P16050 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
SCHEMBL10105298 0.85 KMT2A (0.51) KMT2ARAD52RXFP1MEN1ABCB1
SCHEMBL12955612 0.79 SLC2A1 (0.41) KMT2ARAD52RXFP1MEN1ABCB1
SCHEMBL1105731 0.77 KMT2A (0.55) KMT2ARAD52RXFP1MEN1HTR2C
SCHEMBL11223239 0.76 KMT2A (0.59) KMT2ARAD52RXFP1MEN1HTR2C
SCHEMBL8622919 0.76 ALDH1A1 (0.43) KMT2ARAD52RXFP1ABCB1GAA
SCHEMBL2742045 0.73 KMT2A (0.52) KMT2ARAD52RXFP1MEN1HTR2C
SCHEMBL10411260 0.72 KMT2A (0.55) KMT2ARAD52RXFP1MEN1HTR2C
SCHEMBL20115140 0.72 KMT2A (0.55) KMT2ARAD52RXFP1MEN1HTR2C
SCHEMBL2269084 0.72 KMT2A (0.60) KMT2ARAD52RXFP1MEN1HTR2C
SCHEMBL13503134 0.72 KMT2A (0.55) KMT2ARAD52RXFP1MEN1HTR2C

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-2010494-B1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES OREAL (FR) 2012-02-01 EP disclosed