SCHEMBL9826478

SCHEMBL9826478

CC(N)c1cc2ccc(Cl)cc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
ALOX5 P09917 1/20 0.43
NPC1 O15118 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
PTPN1 P18031 1/20 0.41
ACHE P22303 1/20 0.41
RAB9A P51151 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ADRB2 P07550 1/20 0.41
PIK3CG P48736 1/20 0.41
APP P05067 1/20 0.40
PSMB8 P28062 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL10459871 0.85 ALOX5 (0.57) CA12CA9LMNATP53HTT
SCHEMBL20559684 0.85 ALOX5 (0.57) CA12CA9LMNATP53HTT
Hydrochloric Acid SCHEMBL10458742 0.84 ALOX5 (0.56) CA12CA9LMNATP53HTT
SCHEMBL9826182 0.79 ALDH1A1 (0.43) NPC1MGAMGAASIPTPN1
SCHEMBL9826936 0.78 NPC1 (0.41) HTTNPC1MGAMGAASI
SCHEMBL9826932 0.78 GAA (0.41) NPC1MGAMGAASIPTPN1
SCHEMBL20559553 0.78 GAA (0.41) NPC1MGAMGAASIPTPN1
Hydrochloric Acid SCHEMBL10460618 0.78 ALDH1A1 (0.42) NPC1MGAMGAASIPTPN1
SCHEMBL9826066 0.78 NPC1 (0.45) LMNATP53HTTNPC1MGAM
SCHEMBL9826513 0.77 NPC1 (0.38) CA12CA9NPC1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283522-B1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-27 EP disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed