SCHEMBL9826513

SCHEMBL9826513

CC(N)c1cc2ccc(CCl)cc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
PTPN1 P18031 1/20 0.38
ACHE P22303 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 1/20 0.34
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR1B P28222 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA5A P35218 2/20 0.33

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
SCHEMBL9827041 0.85 CYP1A2 (0.40) NPC1RAB9AMGAMGAASI
SCHEMBL9826479 0.81 HTR2A (0.39) NPC1RAB9AMGAMGAASI
SCHEMBL9826478 0.77 CA12 (0.45) NPC1RAB9AMGAMGAASI
SCHEMBL9826182 0.75 ALDH1A1 (0.43) NPC1RAB9AMGAMGAASI
SCHEMBL9826700 0.74 CA12 (0.43) NPC1RAB9AGAACA12CA1
SCHEMBL9826932 0.74 GAA (0.41) NPC1RAB9AMGAMGAASI
SCHEMBL9826936 0.74 NPC1 (0.41) NPC1RAB9AMGAMGAASI
SCHEMBL9826066 0.74 NPC1 (0.45) NPC1RAB9AMGAMGAASI
SCHEMBL20559553 0.74 GAA (0.41) NPC1RAB9AMGAMGAASI
Hydrochloric Acid SCHEMBL10460618 0.74 ALDH1A1 (0.42) NPC1RAB9AMGAMGAASI

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