SCHEMBL25873146

SCHEMBL25873146

N#COc1ccc(Oc2ccc(C(=O)c3ccc(N=C=O)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.41
PARP10 Q53GL7 3/20 0.39
PARP15 Q460N3 2/20 0.39
PARP2 Q9UGN5 1/20 0.39
POLB P06746 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP16 Q8N5Y8 1/20 0.36
PARP11 Q9NR21 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL25873149 1.00 SRD5A2 (0.41) SRD5A2PARP10PARP15PARP2POLB
SCHEMBL17576542 0.95 CYP3A4 (0.38) SRD5A2PARP10PARP15PARP2HPGD
SCHEMBL22966429 0.89 SRD5A2 (0.50) SRD5A2PARP10PARP15POLBHPGD
SCHEMBL22966330 0.89 SRD5A2 (0.50) SRD5A2PARP10PARP15POLBHPGD
SCHEMBL15981020 0.89 CYP3A4 (0.42) PARP10PARP15PARP2POLBKMT2A
SCHEMBL25873148 0.87 POLB (0.40) SRD5A2PARP10PARP15PARP2POLB
SCHEMBL22966428 0.86 SRD5A2 (0.53) SRD5A2PARP10PARP15PARP2POLB
SCHEMBL22966332 0.86 SRD5A2 (0.53) SRD5A2PARP10PARP15PARP2POLB
SCHEMBL7729124 0.86 SRD5A2 (0.53) SRD5A2PARP10PARP15PARP2POLB
SCHEMBL34741 0.84 CYP3A4 (0.47) TSHRCYP3A4

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
US-20240016699-A1 PHARMACEUTICAL PACKAGES WITH COATINGS COMPRISING POLYCYANURATES CORNING INC (US) 2024-01-18 US disclosed
US-11707411-B2 Pharmaceutical packages with coatings comprising polycyanurates CORNING INCORPORATED (US) 2023-07-25 US disclosed