SCHEMBL23373370

SCHEMBL23373370

C[C@H]1CCCN([S+]([O-])c2ccc(N(C)C)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RECQL P46063 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
SCHEMBL13840397 0.84 HPGD (0.41) KMT2AHRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20846484 0.82 HPGD (0.43) KMT2AHRH3ALDH1A1MAPK1GAA
SCHEMBL26242551 0.72 ACHE (0.39) KMT2AMAPK1GAASMN1; SMN2HPGD
SCHEMBL3779225 0.68 CYP1A2 (0.31) HRH3MAPK1SMN1; SMN2
SCHEMBL21277763 0.67 ALDH1A1 (0.35) KMT2AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL18215063 0.67 ALDH1A1 (0.35) KMT2AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL21613816 0.66 GAA (0.44) KMT2AHRH3ALDH1A1KDM4EGAA
SCHEMBL3778462 0.66 ATM (0.35) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL20310914 0.65 KDM4E (0.34) KDM4ESMN1; SMN2
SCHEMBL13840404 0.65 EPHX2 (0.46) KMT2AALDH1A1GAAHTTSMN1; SMN2

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-2021096335-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF 엠비디 주식회사 2021-05-20 WO disclosed