SCHEMBL11244715

SCHEMBL11244715

CCn1c(C)c(C(=O)c2nccnc2C(=O)O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
CNR2 P34972 12/20 0.45
CNR1 P21554 8/20 0.45
CYP1A2 P05177 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1I2 O75469 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 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
SCHEMBL6131241 0.86 CNR2 (0.48) KDM4EHPGDALDH1A1POLBCNR2
SCHEMBL10901358 0.86 CNR2 (0.51) KDM4EHPGDALDH1A1POLBCNR2
SCHEMBL9750686 0.85 HPGD (0.51) KDM4EHPGDALDH1A1POLBCNR2
SCHEMBL11279057 0.84 ALDH1A1 (0.53) KDM4EHPGDALDH1A1POLBCNR2
SCHEMBL9815397 0.83 EGFR (0.48) KDM4EHPGDALDH1A1CYP2C19MEN1
SCHEMBL10376439 0.81 ALDH1A1 (0.54) KDM4EHPGDALDH1A1POLBCNR2
SCHEMBL11492278 0.80 PTGDR2 (0.45) KDM4EHPGDALDH1A1POLBTSHR
SCHEMBL9198796 0.79 ALDH1A1 (0.59) KDM4EHPGDALDH1A1POLBCNR2
SCHEMBL9195261 0.78 ALDH1A1 (0.56) KDM4EHPGDALDH1A1POLBCNR2
SCHEMBL3144221 0.78 CNR2 (0.39) KDM4EHPGDALDH1A1POLBCNR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337340-A FROM DIPHENYLAMINES AND BENZOYL OR 3-INDOLYLCARBONYL PYRIDINE- OR PYRAZINECARBOXYLIC ACIDS STERLING DRUG INC. (US) 1982-06-29 US disclosed
US-4334072-A CHROMOGENS, LEUCO DYES APPLETON PAPERS INC. (US) 1982-06-08 US disclosed
US-4275206-A CHROMOGENS FOR RECORDING AND MARKING SYSTEMS APPLETON PAPERS INC. (US) 1981-06-23 US disclosed
US-4243250-A FUROPYRIDINONES OR FUROPYRAZINONES AS COLOR FORMERS STERLING DRUG INC. (US) 1981-01-06 US disclosed
US-4232887-A PRESSURE SENSITIVE AND HEAT SENSITIVE ELEMENTS FOR RECORDING APPLETON PAPERS INC. (US) 1980-11-11 US disclosed
US-4211872-A COLOR FORMERS FREEDOM CHEMICAL COMPANY 1980-07-08 US disclosed
US-4016174-A USED IN PRESSURE SENSITIVE RECORD MATERIALS AND MANIFOLD MARKING SYSTEMS NCR CORPORATION (US) 1977-04-05 US disclosed