SCHEMBL7753567

SCHEMBL7753567

[O]c1ccc([S+]([O-])c2ccc(Oc3ccc(C(=O)c4cc[c]cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.41
POLB P06746 1/20 0.35
PARP10 Q53GL7 6/20 0.35
HPGD P15428 3/20 0.35
PARP15 Q460N3 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP16 Q8N5Y8 1/20 0.35
PARP11 Q9NR21 1/20 0.35
PARP4 Q9UKK3 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
PARP2 Q9UGN5 1/20 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
SCHEMBL398594 0.88 SRD5A2 (0.50) SRD5A2POLBPARP10HPGDPARP15
SCHEMBL9579976 0.85 SRD5A2 (0.50) SRD5A2POLBPARP10HPGDPARP15
SCHEMBL5158928 0.79 SRD5A2 (0.55) SRD5A2POLBPARP10HPGDPARP15
SCHEMBL6008685 0.78 SRD5A2 (0.44) SRD5A2HPGDALDH1A1KMT2AMAPT
SCHEMBL10341053 0.78 SRD5A2 (0.44) SRD5A2HPGDALDH1A1KMT2AMAPT
SCHEMBL12213670 0.77 LMNA (0.53) SRD5A2HPGDALDH1A1KMT2AMAPT
SCHEMBL9579842 0.73 POLB (0.40) SRD5A2POLBPARP10HPGDPARP15
SCHEMBL10966816 0.73 PARP10 (0.58) SRD5A2POLBPARP10HPGDPARP15
SCHEMBL12213672 0.70 HTT (0.55) SRD5A2POLBALDH1A1MAPTSMN1; SMN2
Diphenylether SCHEMBL28544646 0.70 SRD5A2 (0.61) SRD5A2POLBPARP10ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070173-A1 AQUEOUS BASED IMAGE RECEPTIVE COATING AND PROCESS FOR PRODUCING SAME A*Ware Technologies, L.C. (US) 2001-01-24 EP disclosed
WO-1999053138-A1 AQUEOUS BASED IMAGE RECEPTIVE COATING AND PROCESS FOR PRODUCING SAME A*WARE TECHNOLOGIES, L.C. (US) 1999-10-21 WO disclosed