SCHEMBL30675573

SCHEMBL30675573

O=C(CSc1nc2cc(Cl)ncc2[nH]1)Nc1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 16/20 1.00
▸ MAPT P10636 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55

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
SCHEMBL20679588 1.00 ENPP1 (1.00) ENPP1MAPTALDH1A1LMNATP53
SCHEMBL21663585 0.89 ENPP1 (0.79) ENPP1MAPTALDH1A1LMNATP53
SCHEMBL21663928 0.89 ENPP1 (0.79) ENPP1MAPTALDH1A1NPC1RAB9A
SCHEMBL20679562 0.83 ENPP1 (1.00) ENPP1
SCHEMBL30675629 0.83 ENPP1 (1.00) ENPP1
SCHEMBL21670921 0.81 ENPP1 (0.68) ENPP1MAPTALDH1A1
SCHEMBL26534954 0.74 MAPT (0.62) ENPP1MAPTALDH1A1LMNATP53
SCHEMBL20679574 0.73 ENPP1 (1.00) ENPP1
SCHEMBL20679601 0.73 ENPP1 (1.00) ENPP1
SCHEMBL30675613 0.73 ENPP1 (1.00) ENPP1

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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