SCHEMBL7760016

SCHEMBL7760016

COc1ccc(CNc2ccccc2C(=O)NCCN)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
HDAC1 Q13547 3/20 0.53
KMT2A Q03164 2/20 0.51
SLC6A5 Q9Y345 2/20 0.50
CD38 P28907 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL12725545 0.83 MEN1 (0.60) HPGDHDAC1KMT2ACD38HDAC3
SCHEMBL7756878 0.83 KDM4E (0.58) HDAC1KMT2AHDAC3HDAC2NCOR2
SCHEMBL1505239 0.80 ALDH1A1 (0.68) HPGDKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL12725538 0.80 HIF1A (0.53) HPGDHDAC1KMT2ACD38KDM4E
SCHEMBL1714655 0.80 NPC1 (0.63) HPGDHDAC1KMT2ACD38NCOR2
SCHEMBL9741286 0.78 NPC1 (0.53) HPGDHDAC1KMT2ACD38KDM4E
SCHEMBL7760871 0.78 PLA2G1B (0.57) HPGDKMT2ATSHRKDM4ELMNA
SCHEMBL28678439 0.78 HIF1A (0.61) HPGDKMT2ATSHRKDM4ELMNA
SCHEMBL7761717 0.77 KDM4E (0.62) HPGDHDAC1KMT2ASLC6A5HDAC3
SCHEMBL7760875 0.77 ADRA1D (0.46) HPGDHDAC1KMT2AHDAC3TSHR

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