SCHEMBL31261838

SCHEMBL31261838

Cc1cnc(OC(F)F)c2ccn(S(=O)(=O)N3CCNCC3)c12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ PRKACG P22612 1/20 0.31
▸ PRKACB P22694 1/20 0.31
▸ PRKCH P24723 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ PRKCE Q02156 1/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ PRKCZ Q05513 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ PRKD1 Q15139 1/20 0.31

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
SCHEMBL31261839 1.00 ALDH1A1 (0.32) ALDH1A1KDM4EPRKD3PRKCGCYP1A2
SCHEMBL31261870 0.87 HTR6 (0.35) ALDH1A1KDM4EPRKD3PRKCGCYP1A2
SCHEMBL31261873 0.81 MAPT (0.40) ALDH1A1HTR6
SCHEMBL31261851 0.79 HTR6 (0.43) KDM4ECYP3A4PRKCEPRKCDPRKD1
SCHEMBL31261842 0.68 MAPT (0.47) ALDH1A1HTR6
SCHEMBL31261889 0.68 CDK1 (0.35) ALDH1A1KDM4ECYP3A4CYP2C19
SCHEMBL31261885 0.67 TGM2 (0.40) —
SCHEMBL31399681 0.64 ROCK2 (0.59) ALDH1A1KDM4EPRKD3PRKCGCYP1A2
SCHEMBL31637434 0.63 SCN9A (0.40) —
SCHEMBL7811565 0.61 ROCK2 (0.51) ALDH1A1KDM4EPRKD3PRKCGCYP1A2

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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