SCHEMBL9728970

SCHEMBL9728970

Cc1ncnc(NC(C)c2ccc(OC(F)F)cc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.40
PDE2A O00408 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
IDH1 O75874 3/20 0.37
P2RX3 P56373 1/20 0.35
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TNF P01375 1/20 0.34
RAB9A P51151 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8024509 0.87 EGFR (0.40) EGFRPDE2AKMT2AMEN1GALR3
SCHEMBL9729841 0.86 EGFR (0.41) EGFRPDE2AKMT2AMEN1GALR3
SCHEMBL11108087 0.85 EGFR (0.47) EGFRGALR3NR2F2IDH1P2RX3
SCHEMBL9403591 0.85 EGFR (0.39) EGFRPDE2AKMT2AMEN1GALR3
SCHEMBL9728955 0.84 EGFR (0.43) EGFRPDE2ACNR1CNR2P2RX3
SCHEMBL23037 0.84 CRHR1 (0.38) EGFRLMNARAB9AMAPT
SCHEMBL9729823 0.84 EGFR (0.39) EGFRPDE2AKMT2AMEN1GALR3
SCHEMBL8030576 0.84 IDH1 (0.39) EGFRPDE2AKMT2AMEN1GALR3
SCHEMBL11099038 0.82 EGFR (0.45) EGFRGALR3NR2F2CNR1CNR2
SCHEMBL11102122 0.82 CNR1 (0.47) EGFRGALR3NR2F2CNR1CNR2

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
US-5141941-A ARALKYLAMINE DERIVATIVES, AND FUNGICIDES CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1992-08-25 US claimed
EP-0432894-A1 Fungicidal composition UBE INDUSTRIES, LTD. (JP) 1991-06-19 EP claimed
EP-0432894-A1 Fungicidal composition UBE INDUSTRIES, LTD. (JP) 1991-06-19 EP disclosed