SCHEMBL9460847

SCHEMBL9460847

C=C(CSn1cnc2ccccc21)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.37
▸ TNF P01375 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ EGLN3 Q9H6Z9 1/20 0.34
▸ ASAH1 Q13510 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ HSF1 Q00613 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ DNMT3A Q9Y6K1 1/20 0.33
▸ GGPS1 O95749 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 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
SCHEMBL2924425 0.79 TDP1 (0.42) TDP1TNFCYP11B1CYP11B2EGLN3
SCHEMBL8413080 0.73 TDP1 (0.48) POLBTDP1TNFCYP11B1CYP11B2
SCHEMBL599672 0.73 POLB (0.45) POLBTDP1TNFCYP11B1CYP11B2
SCHEMBL1939000 0.72 TDP1 (0.44) POLBTDP1TNFCYP11B1CYP11B2
SCHEMBL10587534 0.72 POLB (0.39) POLBTDP1TNFCYP11B1CYP11B2
SCHEMBL9060998 0.70 TDP1 (0.48) TDP1TNFCYP11B1CYP11B2ASAH1
SCHEMBL11269104 0.68 KDM4E (0.44) POLBEGLN3ASAH1HTTFGFR1
SCHEMBL6530090 0.67 TDP1 (0.46) POLBTDP1TNFCYP11B1CYP11B2
SCHEMBL6529410 0.67 CYP11B1 (0.53) TDP1TNFCYP11B1CYP11B2EGLN3
SCHEMBL8792548 0.67 TDP1 (0.46) TDP1TNFCYP11B1CYP11B2ASAH1

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
US-5250527-A Enzyme inhibitors; administering to reduce gastric acid secretion SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1993-10-05 — — US disclosed
EP-0184322-B1 BENZIMIDAZOLES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 — — EP disclosed
US-4820708-A ANTISECRETORY AGENTS; GASTROINTESTINAL DISORDERS SMITH KLINE & FRENCH LABORATORIES (GB) 1989-04-11 — — US disclosed
US-4777172-A ANTIGASTRIC ACID SECRETORY AGENT SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-10-11 — — US disclosed
EP-0246774-A1 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-11-25 — — EP disclosed
EP-0184322-A1 Benzimidazoles SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-06-11 — — EP disclosed
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