SCHEMBL30675623

SCHEMBL30675623

O=C(CSc1nc2cnc(Cl)cc2[nH]1)Nc1cccc(O)c1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 12/20 0.85
▸ POLB P06746 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ KMT2A Q03164 2/20 0.55
▸ MPO P05164 1/20 0.55
▸ FPR2 P25090 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ TP53 P04637 1/20 0.53

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
SCHEMBL20679573 1.00 ENPP1 (0.85) ENPP1POLBMAPTTDP1KMT2A
SCHEMBL30675559 0.89 ENPP1 (0.84) ENPP1MAPTKMT2AMPOFPR2
SCHEMBL20679584 0.89 ENPP1 (0.84) ENPP1MAPTKMT2AMPOFPR2
SCHEMBL30675624 0.84 ENPP1 (0.85) ENPP1
SCHEMBL20679534 0.84 ENPP1 (0.85) ENPP1
SCHEMBL20687583 0.81 ENPP1 (0.86) ENPP1FPR2
SCHEMBL30675576 0.81 ALDH1A1 (0.66) ENPP1POLBMAPTKMT2AMEN1
SCHEMBL20679555 0.81 ALDH1A1 (0.66) ENPP1POLBMAPTKMT2AMEN1
SCHEMBL20679561 0.79 ENPP1 (0.86) ENPP1FPR2
SCHEMBL30675621 0.79 ENPP1 (0.86) ENPP1FPR2

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
CN-111615388-B Immunotherapeutic agent for cancer 斯汀格瑞治疗股份有限公司 2023-11-14 — — CN disclosed
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