SCHEMBL9541835

SCHEMBL9541835

O=C(c1ccccc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.70
CNR1 P21554 4/20 0.70
ALDH1A1 P00352 1/20 0.64
ATM Q13315 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TPMT P51580 1/20 0.56
MAPT P10636 1/20 0.54
SRD5A2 P31213 2/20 0.54
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PBRM1 Q86U86 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
VCAM1 P19320 1/20 0.47

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
SCHEMBL28157831 0.95 ATM (0.67) CNR2CNR1ALDH1A1ATMTDP1
SCHEMBL26434768 0.86 CNR2 (0.65) CNR2CNR1ALDH1A1ATMTDP1
SCHEMBL28981560 0.86 CNR2 (0.56) CNR2CNR1ALDH1A1ATMTDP1
SCHEMBL28723978 0.86 CNR2 (0.58) CNR2CNR1ALDH1A1ATMTDP1
SCHEMBL4465360 0.85 TPMT (0.65) CNR2CNR1TPMTSRD5A2RXRA
SCHEMBL31514279 0.84 ATM (0.71) CNR2CNR1ALDH1A1ATMTDP1
SCHEMBL8434278 0.84 SRD5A2 (0.72) CNR2CNR1TPMTSRD5A2RXRA
SCHEMBL1133114 0.84 ATM (0.71) CNR2CNR1ALDH1A1ATMTDP1
SCHEMBL11850424 0.84 CNR1 (0.69) CNR2CNR1TPMTSRD5A2CES2
SCHEMBL1206345 0.83 CNR2 (1.00) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1789245-A Sulfur-containing, polymerizable benzophenone photoinitiator and preparation method thereof UNIV SHANGHAI JIAOTONG (CN) 2006-06-21 CN claimed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-100360504-C Sulfur-containing, polymerizable benzophenone photoinitiator and preparation method thereof UNIV SHANGHAI JIAOTONG (CN) 2008-01-09 CN disclosed
CN-1789245-A Sulfur-containing, polymerizable benzophenone photoinitiator and preparation method thereof UNIV SHANGHAI JIAOTONG (CN) 2006-06-21 CN disclosed
WO-1993015100-A1 NOVEL ADENOSINE DERIVATIVES, THEIR PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRES UPSA (FR) 1993-08-05 WO disclosed
US-5219839-A Analgesics; anticonvulsant and -epileptic agents; antidepressants; anxiolytic, antiarrhythmic and hypotensive agents; anticoagulants LABORATORIES UPSA (FR) 1993-06-15 US disclosed