SCHEMBL7280496

SCHEMBL7280496

[CH2]c1cccc(C(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
HPGD P15428 1/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 1/20 0.45
NR4A1 P22736 1/20 0.44
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
PBRM1 Q86U86 1/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL809735 0.86 ATM (0.67) SRD5A2MAPK1ATMTDP1L3MBTL1
SCHEMBL10547000 0.85 CNR2 (0.49) ATMTDP1L3MBTL1CNR1CNR2
SCHEMBL965605 0.84 ATM (0.71) SRD5A2MAPK1ATMTDP1L3MBTL1
SCHEMBL10543317 0.84 SRD5A2 (0.58) SRD5A2ATMTDP1L3MBTL1HPGD
SCHEMBL3177794 0.82 PARP1 (0.59) SRD5A2MAPK1ATMTDP1L3MBTL1
SCHEMBL9050342 0.80 SRD5A2 (0.64) SRD5A2MAPK1L3MBTL1CES2CES1
SCHEMBL10547863 0.80 ALDH1A1 (0.49) SRD5A2ATMHPGDCNR2HTT
SCHEMBL9854004 0.79 SRD5A2 (0.70) SRD5A2MAPK1ATMTDP1L3MBTL1
SCHEMBL9468917 0.79 MAPK1 (0.64) SRD5A2MAPK1ATMTDP1L3MBTL1
SCHEMBL11453670 0.79 ATM (0.57) SRD5A2MAPK1ATMTDP1L3MBTL1

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
EP-0151529-B1 5-(AMINO OR SUBSTITUTED AMINO)-1,2,3-TRIAZOLES MERCK & CO. INC. (US) 1991-09-18 EP disclosed