SCHEMBL7879758

SCHEMBL7879758

O=C(NCl)C1c2ccccc2C=CN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35
ALDH1A1 P00352 8/20 0.34
MAPT P10636 8/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
HPGD P15428 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HIF1A Q16665 1/20 0.34
ALOX15 P16050 3/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
USP2 O75604 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 1/20 0.34
BAP1 Q92560 1/20 0.34
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC4 P56524 3/20 0.32

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
SCHEMBL30471684 0.84 ATM (0.42) ATMBRD4CCL2ALDH1A1MAPT
SCHEMBL28925179 0.84 ATM (0.42) ATMBRD4CCL2ALDH1A1MAPT
SCHEMBL28202894 0.73 BRD4 (0.38) ATMBRD4CCL2ALDH1A1MAPT
SCHEMBL16245516 0.72 BRD4 (0.38) ATMBRD4CCL2ALDH1A1MAPT
SCHEMBL31561672 0.69 BRD4 (0.38) ATMBRD4CCL2ALDH1A1MAPT
SCHEMBL28153734 0.69 BRD4 (0.38) ATMBRD4CCL2ALDH1A1MAPT
SCHEMBL28981690 0.69 BRD4 (0.35) ATMBRD4CCL2ALDH1A1MAPT
SCHEMBL16469941 0.68 BRD4 (0.37) ATMBRD4CCL2ALDH1A1MAPT
SCHEMBL1356607 0.68 BRD4 (0.37) ATMBRD4CCL2ALDH1A1MAPT
SCHEMBL27573091 0.66 MAPT (0.44) ATMBRD4CCL2ALDH1A1MAPT

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-6319931-B1 APOPTOSIS-INDUCING AGENT FOR CANCER TREATMENT CENTRE NATIONAL DE AL RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-11-20 US disclosed