SCHEMBL901874

SCHEMBL901874

Nc1cccc(-c2cccc(CCNC(=O)O)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.47
HRH2 P25021 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
LARS1 Q9P2J5 1/20 0.42
NOS1 P29475 4/20 0.42
NOS3 P29474 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
USP28 Q96RU2 4/20 0.42
USP25 Q9UHP3 4/20 0.42
CFD P00746 1/20 0.42
TP53 P04637 1/20 0.41
HIF1A Q16665 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL902861 0.86 NOS1 (0.53) ASIC3NOS1NOS3KDM4ELMNA
SCHEMBL901976 0.84 ALDH1A1 (0.46) KDM4ELMNACFDTP53HIF1A
SCHEMBL903992 0.82 NQO2 (0.46) LARS1KDM4E
SCHEMBL3345753 0.77 FAAH (0.53) CFD
SCHEMBL21049906 0.76 AKR1C3 (0.53)
SCHEMBL1027287 0.75 MAOA (0.56)
SCHEMBL901406 0.75 KARS1 (0.50) ASIC3HRH4LARS1
SCHEMBL12469132 0.75 KARS1 (0.72) KDM4ELMNA
SCHEMBL901872 0.75 KARS1 (0.52) HIF1A
SCHEMBL902860 0.75 MTNR1A (0.43) ASIC3NOS1NOS3KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed