SCHEMBL7760889

SCHEMBL7760889

COc1ccc(CNc2ccccc2NC(=O)NCCN(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
HIF1A Q16665 1/20 0.50
FPR2 P25090 1/20 0.50
SNCA P37840 1/20 0.48
CASR P41180 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7756878 0.86 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL7756925 0.82 NPC1 (0.49) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL7760034 0.81 MAPT (0.51) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL8366816 0.80 HDAC1 (0.58) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL7760885 0.79 HIF1A (0.78) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL17079633 0.73 ITGB3 (0.66) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5594906 0.72 CFD (0.74) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL12725528 0.71 HIF1A (0.48) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL12725538 0.71 HIF1A (0.53) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL1505239 0.71 ALDH1A1 (0.68) MEN1KMT2AKDM4EALDH1A1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541479-B1 Derivatives of thiosalicylic acid and o-aminobenzoic acid MASSACHUSETTS COLLEGE OF PHARMACY 2003-04-01 US disclosed