SCHEMBL31349489

SCHEMBL31349489

O=C(c1cc2cccnc2n1S(=O)(=O)c1ccccc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
RORC P51449 1/20 0.43
RIPK1 Q13546 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL1772350 0.81 LMNA (0.53) ALDH1A1LMNAMAPTRECQLHTT
SCHEMBL4876447 0.81 ALDH1A1 (0.55) ALDH1A1LMNAMAPTRECQLCYP2C19
SCHEMBL31349422 0.81 RECQL (0.50) MAPK1ALDH1A1LMNAMAPTTSHR
SCHEMBL1963039 0.79 LMNA (0.43) ALDH1A1LMNAMAPTRECQLHTT
SCHEMBL27700600 0.79 ALDH1A1 (0.53) ALDH1A1LMNAMAPTRECQLCYP2C19
SCHEMBL31219358 0.76 ALDH1A1 (0.50) ALDH1A1LMNAMAPTRECQLCYP2C19
SCHEMBL18181213 0.76 ALDH1A1 (0.50) ALDH1A1LMNAMAPTRECQLCYP2C19
SCHEMBL13548767 0.76 MAPK1 (0.45) MAPK1ALDH1A1LMNATSHRRECQL
SCHEMBL14053495 0.75 ALDH1A1 (0.55) ALDH1A1LMNAMAPTRECQLCYP2C19
SCHEMBL1959418 0.74 ALDH1A1 (0.41) ALDH1A1LMNAMAPTTSHRPOLB

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-2025005367-A1 NOVEL SATURATED HETEROCYCLE-SUBSTITUTED HETEROARYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF 한국과학기술연구원 2025-01-02 WO disclosed