SCHEMBL9838384

SCHEMBL9838384

CCc1ncnc(NC(C)c2ccc([S+](C)[O-])cc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TNF P01375 1/20 0.33
RAB9A P51151 1/20 0.33
NOD1 Q9Y239 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 10/20 0.33
P2RX3 P56373 3/20 0.33
KRAS P01116 1/20 0.32
SOS1 Q07889 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
SCHEMBL9838401 0.87 CNR1 (0.34) GALR3NR2F2CNR1CNR2TNF
SCHEMBL17085318 0.82 GALR3 (0.54) GALR3NR2F2TNFRAB9ANOD1
SCHEMBL8024767 0.81 CNR1 (0.36) GALR3NR2F2CNR1CNR2TNF
SCHEMBL9838456 0.81 GALR3 (0.38) GALR3NR2F2CNR1CNR2TNF
SCHEMBL8304355 0.81 GALR3 (0.38) GALR3NR2F2CNR1CNR2TNF
SCHEMBL9838083 0.81 EGFR (0.47) GALR3NR2F2EGFRP2RX3
SCHEMBL9838339 0.78 ALDH1A1 (0.38) GALR3NR2F2CNR1CNR2LMNA
SCHEMBL9729823 0.77 EGFR (0.39) GALR3NR2F2CNR1CNR2RAB9A
SCHEMBL9836824 0.77 SMN1; SMN2 (0.36) GALR3NR2F2CNR1CNR2TNF
SCHEMBL8756068 0.76 TPH1 (0.40) GALR3NR2F2EGFRKRASSOS1

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-0424125-A2 Aralkylamine derivatives, preparation method thereof and fungicides containing the same UBE INDUSTRIES, LTD. (JP) 1991-04-24 EP disclosed