SCHEMBL31261870

SCHEMBL31261870

COc1ncc(C)c2c1ccn2S(=O)(=O)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 7/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ PRKD3 O94806 2/20 0.33
▸ PRKCG P05129 2/20 0.33
▸ PRKCB P05771 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ PRKCA P17252 2/20 0.33
▸ PRKACA P17612 2/20 0.33
▸ PRKACG P22612 2/20 0.33
▸ PRKACB P22694 2/20 0.33
▸ PRKCH P24723 2/20 0.33
▸ PRKCI P41743 2/20 0.33
▸ PRKCE Q02156 2/20 0.33
▸ PRKCQ Q04759 2/20 0.33
▸ PRKCZ Q05513 2/20 0.33
▸ PRKCD Q05655 2/20 0.33
▸ PRKD1 Q15139 2/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL31261838 0.87 ALDH1A1 (0.32) HTR6ALDH1A1CYP3A4PRKD3PRKCG
SCHEMBL31261839 0.87 ALDH1A1 (0.32) HTR6ALDH1A1CYP3A4PRKD3PRKCG
SCHEMBL31261889 0.80 CDK1 (0.35) ALDH1A1CYP3A4KDM4ECYP2C19TSHR
SCHEMBL31261842 0.80 MAPT (0.47) HTR6ALDH1A1TSHRSMN1; SMN2
SCHEMBL31261885 0.79 TGM2 (0.40) —
SCHEMBL31261858 0.73 TGM2 (0.40) KMT2AALDH1A1KDM4EMEN1
SCHEMBL31261845 0.71 NPC1 (0.35) KMT2AALDH1A1KDM4EMEN1
SCHEMBL31261873 0.69 MAPT (0.40) HTR6ALDH1A1TSHRSMN1; SMN2
SCHEMBL7807222 0.68 ROCK2 (0.53) KMT2AALDH1A1CYP3A4PRKD3PRKCG
SCHEMBL31261851 0.64 HTR6 (0.43) HTR6CYP3A4PRKCEPRKCDPRKD1

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
EP-4739671-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008627-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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