SCHEMBL11204792

SCHEMBL11204792

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 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
SCHEMBL11201833 0.89 RAB9A (0.45) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL11204144 0.85 RAB9A (0.43) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL11210924 0.82 NPC1 (0.44) NPC1MEN1KMT2AMAPTGAA
SCHEMBL16838610 0.79 MAPT (0.50) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL11210434 0.77 UTS2R (0.45) RAB9AKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL11481793 0.77 KDM4E (0.51) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL14440013 0.74 CXCL8 (0.43) KDM4EMAPTALDH1A1CYP1A2
SCHEMBL11201712 0.72 CASR (0.42) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL14440012 0.72 LMNA (0.43) MEN1KMT2AMAPTGAAPOLB
SCHEMBL23715809 0.72 NPC1 (0.50) RAB9ANPC1MEN1KMT2AKDM4E

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