SCHEMBL31615799

SCHEMBL31615799

COC(=O)c1ccc(OC2(C)CN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ VCAM1 P19320 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ESRRA P11474 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL31615904 0.89 TTR (0.44) ALDH1A1HPGDRAB9ALMNASMN1; SMN2
SCHEMBL26767364 0.87 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1VCAM1RAB9A
SCHEMBL31615801 0.84 USP2 (0.45) ALDH1A1HPGDNPSR1RAB9ALMNA
SCHEMBL31615816 0.81 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1VCAM1RAB9A
SCHEMBL31615980 0.78 PDE4B (0.48) ALDH1A1HPGDNPSR1VCAM1RAB9A
SCHEMBL102545 0.78 MAPT (0.60) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL31615706 0.78 MAPT (0.60) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL30929528 0.77 ALDH1A1 (0.42) ALDH1A1NPSR1RAB9ALMNASMN1; SMN2
SCHEMBL31615593 0.76 ALDH1A1 (0.65) ALDH1A1HPGDNPSR1VCAM1LMNA
SCHEMBL31316605 0.75 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2MAPTMEN1

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
WO-2025120168-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CRYPTOSPORIDIUM INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2025-06-12 — — WO disclosed
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