SCHEMBL23746263

SCHEMBL23746263

CCCCN(C(=O)CCC)c1sc(-c2cccnc2)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 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
SCHEMBL23746268 0.91 S1PR1 (0.49) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL17082467 0.89 L3MBTL1 (0.53) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL13048877 0.88 L3MBTL1 (0.54) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL23746266 0.86 S1PR1 (0.50) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL23746068 0.83 L3MBTL1 (0.43) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL17589730 0.82 ALDH1A1 (0.44) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL23726147 0.81 HSD17B10 (0.48) S1PR1KDM4ENPC1ALDH1A1CYP1A2
SCHEMBL290945 0.80 HSD17B10 (0.43) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL23485362 0.80 ALDH1A1 (0.43) S1PR1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL13048880 0.80 NPC1 (0.46) S1PR1L3MBTL1KDM4ENPC1ALDH1A1

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
WO-2023224815-A2 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-11-23 WO disclosed
WO-2021158455-A1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-08-12 WO disclosed