SCHEMBL9826669

SCHEMBL9826669

CC(N)c1cc2cc(Br)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.50
ALDH1A1 P00352 4/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
CYP2A6 P11509 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MAOA P21397 1/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42

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
SCHEMBL9826936 0.85 NPC1 (0.41) PIM1ALDH1A1USP2HTTCYP2A6
SCHEMBL12248485 0.85 CYP2A6 (0.50) PIM1ALDH1A1USP2HTTCYP2A6
SCHEMBL1390481 0.81 PIM1 (0.50) PIM1ALDH1A1USP2HTTCYP2A6
SCHEMBL20559684 0.78 ALOX5 (0.57) ALDH1A1HTTCA12CA1CA2
SCHEMBL8898552 0.78 CA12 (0.45) CA12CA1CA2CA9MAOA
SCHEMBL20559086 0.78 CA12 (0.45) CA12CA1CA2CA9MAOA
SCHEMBL10459871 0.78 ALOX5 (0.57) ALDH1A1HTTCA12CA1CA2
SCHEMBL20559632 0.78 CA12 (0.45) CA12CA1CA2CA9MAOA
Hydrochloric Acid SCHEMBL20559547 0.76 CA12 (0.44) CA12CA1CA2CA9MAOA
Hydrochloric Acid SCHEMBL10458742 0.76 ALOX5 (0.56) ALDH1A1HTTCA12CA1CA2

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