SCHEMBL9507827

SCHEMBL9507827

CNC(=O)n1nccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.41
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
BAZ2B Q9UIF8 1/20 0.34
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
KLKB1 P03952 1/20 0.34
ELANE P08246 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
CREBBP Q92793 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ENPP3 O14638 1/20 0.32

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
SCHEMBL14385409 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1KDM5AKDM4CKDM5B
SCHEMBL21233056 0.77
SCHEMBL2652518 0.77
SCHEMBL9503811 0.76 MAOB (0.35) ALDH1A1MAPK1POLBKDM4ELMNA
SCHEMBL23648055 0.69 SMN1; SMN2 (0.48) ALDH1A1CYP1A2CYP2C19POLB
SCHEMBL21640187 0.68 ALDH1A1 (0.36) ALDH1A1MAPK1KDM5AKDM4CKDM5B
SCHEMBL21241066 0.68
SCHEMBL693588 0.68 FAAH (0.41) ALDH1A1MAPK1ELANEBCHEPOLB
SCHEMBL12417594 0.68 TSHR (0.55) ALDH1A1MAPK1CYP1A2CYP2C19POLB
SCHEMBL4870074 0.67

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-0547055-A1 AGENTS FOR INCREASING BIOMASS PRODUCTION SKW STICKSTOFFWERKE PIESTERITZ GmbH (DE) 1993-06-23 EP claimed
WO-1991018509-A1 AGENTS FOR INCREASING BIOMASS PRODUCTION STICKSTOFFWERKE AG WITTENBERG-PIESTERITZ (DE) 1991-12-12 WO claimed
EP-0547055-A1 AGENTS FOR INCREASING BIOMASS PRODUCTION SKW STICKSTOFFWERKE PIESTERITZ GmbH (DE) 1993-06-23 EP disclosed
WO-1991018509-A1 AGENTS FOR INCREASING BIOMASS PRODUCTION STICKSTOFFWERKE AG WITTENBERG-PIESTERITZ (DE) 1991-12-12 WO disclosed