SCHEMBL31399697

SCHEMBL31399697

CN(C)c1nccc2c(S(=O)(=O)N3CCNCC3)cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.63
ROCK1 Q13464 6/20 0.63
PRKCE Q02156 4/20 0.63
PRKCD Q05655 4/20 0.63
PRKD1 Q15139 4/20 0.63
PRKX P51817 2/20 0.63
CYP3A4 P08684 6/20 0.60
NFKB1 P19838 4/20 0.60
TSHR P16473 2/20 0.60
THPO P40225 1/20 0.60
HIF1A Q16665 1/20 0.60
LMNA P02545 3/20 0.59
MAPT P10636 2/20 0.59
BLM P54132 1/20 0.59
CYP1A2 P05177 3/20 0.56
PRKACA P17612 3/20 0.56
PRKACG P22612 3/20 0.56
PRKACB P22694 3/20 0.56
PRKD3 O94806 3/20 0.56
PRKCG P05129 3/20 0.56

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
SCHEMBL2908180 0.81 ROCK2 (0.67) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL2907389 0.81 ROCK2 (0.67) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL5650140 0.81 KMT2A (0.77) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL31033068 0.81 KMT2A (0.77) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL13513878 0.81 ROCK2 (0.77) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL31399766 0.81 ROCK2 (0.63) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL18138090 0.80 KMT2A (0.75) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL19856464 0.80 KMT2A (0.75) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL31399751 0.78 ROCK2 (0.59) ROCK2ROCK1PRKCEPRKCDPRKD1
Hydroxyfasudil SCHEMBL1827528 0.77 ROCK2 (0.75) ROCK2ROCK1PRKCEPRKCDPRKD1

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-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 WO disclosed