SCHEMBL25873152

SCHEMBL25873152

N#COc1ccc(C(=C(Cl)Cl)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL34741 0.84 CYP3A4 (0.47) TSHRCYP3A4MAPK1TDP1
SCHEMBL7109365 0.84 TSHR (0.46) TSHRCYP3A4MAPK1MEN1KMT2A
SCHEMBL22966369 0.84 CYP3A4 (0.47) TSHRCYP3A4MAPK1MEN1KMT2A
SCHEMBL17576542 0.83 CYP3A4 (0.38) TSHRCYP3A4MAPK1MEN1KMT2A
SCHEMBL25873149 0.79 SRD5A2 (0.41) TSHRCYP3A4KMT2AALDH1A1MAPT
SCHEMBL25873139 0.79 PRSS1 (0.49) ALDH1A1HIF1AHSD17B10
SCHEMBL25873146 0.79 SRD5A2 (0.41) TSHRCYP3A4KMT2AALDH1A1MAPT
SCHEMBL15981020 0.79 CYP3A4 (0.42) TSHRCYP3A4MAPK1MEN1KMT2A
SCHEMBL10033172 0.79 CYP3A4 (0.42) TSHRCYP3A4MAPK1TDP1ALDH1A1
SCHEMBL12637592 0.76 CYP3A4 (0.42) TSHRCYP3A4KMT2AL3MBTL1LMNA

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
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