SCHEMBL7498608

SCHEMBL7498608

CN(c1ccc(F)cc1)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.75
NR4A2 P43354 4/20 0.49
SOS2 Q07890 1/20 0.49
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FERMT2 Q96AC1 1/20 0.42
CYP1A2 P05177 1/20 0.41
KCNH2 Q12809 1/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCR1 P32246 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 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
SCHEMBL2219585 0.91 CHKA (0.83) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL10062533 0.87 CHKA (0.77) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL13450995 0.86 CHKA (0.75) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL11136934 0.86 CHKA (1.00) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL1706258 0.79 CHKA (0.68) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL30058586 0.79 CHKA (0.68) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL30522270 0.77 CHKA (0.69) CHKALMNACYP1A2HSD17B10MAPT
SCHEMBL610392 0.77 CHKA (0.69) CHKALMNACYP1A2HSD17B10MAPT
SCHEMBL21346926 0.76 CHKA (0.70) CHKANR4A2SOS2LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10573768 0.75 CHKA (0.62) CHKANR4A2SOS2LMNASMN1; SMN2

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
EP-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 EP disclosed