SCHEMBL10690689

SCHEMBL10690689

Nc1c(C(=O)O)cnn1-c1ncc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.43
FGFR1 P11362 3/20 0.40
SRC P12931 3/20 0.40
FGFR2 P21802 3/20 0.40
FGFR4 P22455 3/20 0.40
FGFR3 P22607 3/20 0.40
KDR P35968 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RIPK2 O43353 1/20 0.39
HTT P42858 1/20 0.38
MAPK14 Q16539 1/20 0.38
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
BTK Q06187 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
SCHEMBL6483822 0.89 RIPK2 (0.49) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL27681336 0.85 ALKBH1 (0.43) PTPN1SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL15167773 0.83 MAPK1 (0.52) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL4541462 0.83 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL10687209 0.81 HTT (0.63) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL10717398 0.80 LMNA (0.36) SRCKDRRAB9ANPC1MAPK1
SCHEMBL2293746 0.80 POLB (0.53) SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL28764761 0.79 RIPK2 (0.44) PTPN1FGFR1SRCFGFR2FGFR4
SCHEMBL27681333 0.75 PTPN1 (0.49) PTPN1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL10686367 0.73 PKM (0.44) RAB9AALDH1A1MAPTMAPK1HTT

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
US-4772312-A PRE-AND POSTEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US disclosed