SCHEMBL9617680

SCHEMBL9617680

CSc1ccc(C(C)Nc2ncnc(C)c2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX3 P56373 2/20 0.36
EGFR P00533 10/20 0.36
KRAS P01116 2/20 0.36
SOS1 Q07889 2/20 0.36
ACACB O00763 1/20 0.35

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
SCHEMBL11102122 0.85 CNR1 (0.47) GALR3NR2F2CNR1CNR2TNF
SCHEMBL11099038 0.85 EGFR (0.45) GALR3NR2F2CNR1CNR2TNF
SCHEMBL9787313 0.85 SMN1; SMN2 (0.38) GALR3NR2F2CNR1CNR2TNF
SCHEMBL9838456 0.84 GALR3 (0.38) GALR3NR2F2CNR1CNR2TNF
SCHEMBL8014117 0.84 GALR3 (0.38) GALR3NR2F2CNR1CNR2TNF
SCHEMBL11109076 0.83 EGFR (0.46) GALR3NR2F2CNR1CNR2TNF
SCHEMBL8030300 0.83 GALR3 (0.37) GALR3NR2F2CNR1CNR2TNF
SCHEMBL11100649 0.82 GALR3 (0.57) GALR3NR2F2TNFRAB9ANOD1
SCHEMBL11108087 0.81 EGFR (0.47) GALR3NR2F2RAB9ALMNASMN1; SMN2
SCHEMBL11109515 0.81 P2RX3 (0.46) GALR3NR2F2CNR1CNR2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4054169-A None JP disclosed
JP-H0454169-A ARALKYLAMINE DERIVATIVE, ITS PRODUCTION AND BACTERICIDE THEREFROM UBE IND LTD 1992-02-21 JP disclosed
EP-0424125-A2 Aralkylamine derivatives, preparation method thereof and fungicides containing the same UBE INDUSTRIES, LTD. (JP) 1991-04-24 EP disclosed