SCHEMBL9826700

SCHEMBL9826700

CC(N)c1cc2ccc(OCCCl)cc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.43
CA9 Q16790 8/20 0.43
CA1 P00915 6/20 0.43
CA7 P43166 4/20 0.43
CA6 P23280 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA5B Q9Y2D0 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 2/20 0.43
CA5A P35218 2/20 0.43
CA3 P07451 1/20 0.43
CYP1A2 P05177 1/20 0.39
CA13 Q8N1Q1 1/20 0.38
MAOB P27338 7/20 0.38
MAOA P21397 7/20 0.38
CYP19A1 P11511 1/20 0.38
GLA P06280 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL10460824 0.79 CA2 (0.54) CA12CA9CA1CA7CA6
SCHEMBL1390573 0.78 MAOA (0.60) CA12CA9CA1CA7CA6
SCHEMBL9826709 0.78 ALDH1A1 (0.37) CA12CA9CA1CA7CA6
SCHEMBL9826401 0.77 TP53 (0.47) CA12CA9CA2MAOBGLA
SCHEMBL1390983 0.75 CA9 (0.45) CA12CA9CA1CA7CA6
SCHEMBL1391063 0.75 CA12 (0.45) CA12CA9CA1CA7CA6
SCHEMBL9826513 0.74 NPC1 (0.38) CA12CA9CA1CA7CA6
SCHEMBL9826182 0.73 ALDH1A1 (0.43) CYP1A2MAOBKDM4ENPC1ALDH1A1
SCHEMBL9827175 0.72 CA12 (0.45) CA12CA9CA1CA7CA6
Hydrochloric Acid SCHEMBL10460618 0.72 ALDH1A1 (0.42) CYP1A2MAOBKDM4ENPC1ALDH1A1

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