SCHEMBL24870873

SCHEMBL24870873

CSc1cc(C)cc(CNCc2ccccn2)c1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CCR5 P51681 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5707015 0.89 L3MBTL1 (0.50) L3MBTL1KDM4EKMT2AALDH1A1CHRM2
SCHEMBL22229887 0.72 CHRM2 (0.44) L3MBTL1KDM4EKMT2AALDH1A1CHRM2
SCHEMBL5569292 0.72 L3MBTL1 (0.62) L3MBTL1KDM4EKMT2AALDH1A1CHRM2
SCHEMBL29438821 0.72 CHRM2 (0.70) L3MBTL1KDM4EKMT2AALDH1A1CHRM2
SCHEMBL230222 0.72 CHRM2 (0.70) L3MBTL1KDM4EKMT2AALDH1A1CHRM2
SCHEMBL5028858 0.71 TSHR (0.66) L3MBTL1KDM4EKMT2AALDH1A1CHRM2
SCHEMBL13555678 0.71 KDM4E (0.58) L3MBTL1KDM4EKMT2AALDH1A1CHRM2
SCHEMBL24871014 0.71 GAA (0.51) L3MBTL1KDM4EKMT2AALDH1A1CHRM2
SCHEMBL18695436 0.70 GAA (0.47) L3MBTL1KDM4EKMT2AALDH1A1CHRM2
SCHEMBL317984 0.70 CHRM2 (0.68) L3MBTL1KDM4EKMT2AALDH1A1CHRM2

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-2023283473-A1 POLY(DIALKYL BETA-LACTONE) COMPOSITIONS, METHODS OF MAKING SAME AND USES THEREOF CORNELL UNIVERSITY (US) 2023-01-12 WO disclosed