SCHEMBL11293089

SCHEMBL11293089

O=C(c1ccccc1)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SRD5A2 P31213 2/20 0.53
VCAM1 P19320 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
PBRM1 Q86U86 1/20 0.46
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
ALOX15 P16050 1/20 0.46
PDK1 Q15118 2/20 0.45
PDK2 Q15119 2/20 0.45
PDK3 Q15120 2/20 0.45
PDK4 Q16654 2/20 0.45
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
SCHEMBL3280827 0.92 PDE7A (0.51) ATMTDP1L3MBTL1SRD5A2VCAM1
SCHEMBL4568726 0.86 SRD5A2 (0.50) ATMTDP1L3MBTL1SRD5A2VCAM1
SCHEMBL3284829 0.85 SRD5A2 (0.43) ATMTDP1L3MBTL1SRD5A2VCAM1
SCHEMBL28439176 0.85 BCL2L1 (0.43) ATMTDP1L3MBTL1SRD5A2VCAM1
SCHEMBL14647714 0.84 ALDH1A1 (0.45) ATMTDP1L3MBTL1SRD5A2VCAM1
SCHEMBL1128510 0.83 BCL2L1 (0.41) ATMTDP1L3MBTL1SRD5A2VCAM1
SCHEMBL29547380 0.83 BCL2L1 (0.41) ATMTDP1L3MBTL1SRD5A2VCAM1
SCHEMBL3280812 0.82 HSD17B1 (0.47) ATMTDP1L3MBTL1SRD5A2VCAM1
Hydrogen Sulfide SCHEMBL27664386 0.82 HSD17B1 (0.44) ATMTDP1L3MBTL1SRD5A2VCAM1
SCHEMBL28439180 0.81 SRD5A2 (0.45) ATMTDP1L3MBTL1SRD5A2VCAM1

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-4324628-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS SANDOZ LTD. (CH) 1982-04-13 US disclosed