SCHEMBL9826403

SCHEMBL9826403

CCCCNc1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
TLR8 Q9NR97 1/20 0.44
CYP2A6 P11509 3/20 0.44
ADRB2 P07550 1/20 0.44
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
NPC1 O15118 2/20 0.39
CHEK2 O96017 1/20 0.39
FLT1 P17948 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 1/20 0.39
TRPC3 Q13507 1/20 0.39
TRPC4 Q9UBN4 1/20 0.39
TRPC5 Q9UL62 1/20 0.39

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
SCHEMBL26054604 0.94 RAB9A (0.49) RAB9ATLR8CYP2A6ADRB2NPC1
SCHEMBL9825632 0.90 RAB9A (0.47) RAB9ACYP2A6ADRB2ASIC3LOXL2
SCHEMBL5732542 0.82 CYP2A6 (0.49) RAB9ACYP2A6ADRB2ASIC3LOXL2
SCHEMBL10927053 0.76 CYP2A6 (0.46) RAB9ACYP2A6ADRB2ASIC3LOXL2
SCHEMBL11048187 0.75 CYP2A6 (0.46) RAB9ACYP2A6ADRB2ASIC3LOXL2
SCHEMBL10710471 0.75 HDAC3 (0.46) RAB9ACYP2A6ADRB2KDM4EL3MBTL1
SCHEMBL11154388 0.75 CYP2A6 (0.44) RAB9ACYP2A6ADRB2ASIC3LOXL2
SCHEMBL18386503 0.75 ACHE (0.43) RAB9AKDM4EL3MBTL1NPC1SMN1; SMN2
SCHEMBL18650053 0.73 CYP2A6 (0.51) RAB9ACYP2A6ADRB2ASIC3LOXL2
SCHEMBL10371516 0.72 CYP2A6 (0.46) RAB9ACYP2A6ADRB2L3MBTL1ASIC3

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
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
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP disclosed