SCHEMBL11201833

SCHEMBL11201833

O=C(O)C(Nc1ccc2ccccc2c1)c1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
AKR1C3 P42330 1/20 0.42
CYP1A2 P05177 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL11204792 0.89 RAB9A (0.44) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11204144 0.85 RAB9A (0.43) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11207673 0.81 MEN1 (0.49) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11210434 0.77 UTS2R (0.45) RAB9AKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL11339346 0.75 PTGS1 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11339350 0.75 PTGS1 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL27677473 0.75 RAB9A (0.56) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL16838610 0.73 MAPT (0.50) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11201712 0.72 CASR (0.42) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL288854 0.72 RAB9A (0.54) RAB9ANPC1MAPTMEN1KMT2A

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-0006713-B1 NOVEL ALPHA-AMINO-PHENYLACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS HERBICIDAL, ALGICIDAL AND PLANT GROWTH REGULATING AGENTS, AND HERBICIDAL, ALGICIDAL AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-07-13 EP disclosed
US-4246429-A HERBICIDES, ALGICIDES, PLANT GROWTH REGULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 1981-01-20 US disclosed
EP-0006713-A1 Novel alpha-amino-phenylacetic acid derivatives, processes for their preparation, their use as herbicidal, algicidal and plant growth regulating agents, and herbicidal, algicidal and plant growth regulating compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP disclosed