SCHEMBL168701

SCHEMBL168701

Cc1cc(F)ccc1-n1ccc(C(N)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
NR3C2 P08235 1/20 0.39
BTK Q06187 1/20 0.38
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
RXRA P19793 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
PARP1 P09874 2/20 0.36
HTR7 P34969 1/20 0.36
GRM2 Q14416 2/20 0.35
CRHR1 P34998 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL30029894 0.86 F2 (0.36) KDM4EALDH1A1NR3C2F2PLAU
SCHEMBL23749312 0.86 F2 (0.36) KDM4EALDH1A1NR3C2F2PLAU
SCHEMBL30030622 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDELANERXRA
SCHEMBL23749443 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDELANERXRA
SCHEMBL164750 0.80 HTR7 (0.43) NR3C2RXRAGRIN1GRIN2BHTR7
SCHEMBL20249708 0.77 CRHR1 (0.40) KDM4EALDH1A1NR3C2HDAC9HCAR1
SCHEMBL20022423 0.77 HDAC9 (0.41) KDM4EALDH1A1HPGDNR3C2HDAC9
SCHEMBL16201981 0.77 MAPT (0.53) KDM4EALDH1A1HCAR1RXRAGRIN1
SCHEMBL168402 0.75 KMT2A (0.54) SCN9AKDM4EALDH1A1HPGDMAPT
SCHEMBL15090773 0.74 SCN9A (0.46) SCN9AKDM4EALDH1A1HPGDBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP claimed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO claimed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO disclosed