SCHEMBL21699643

SCHEMBL21699643

Cc1cc(C)nc(NCc2csc(C)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 4/20 0.47
PDE10A Q9Y233 1/20 0.45
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
ALPL P05186 1/20 0.42
ALPG P10696 1/20 0.42
PLAA Q9Y263 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 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
SCHEMBL1058822 0.75
SCHEMBL16998591 0.74 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL16254166 0.73
SCHEMBL23563382 0.70 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1PDE10AGAA
SCHEMBL10031019 0.69 PKM (0.51) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL12126153 0.69 ALOX15 (0.55) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL12597510 0.69 KMT2A (0.45) KMT2AMEN1ALDH1A1PDE10AGAA
SCHEMBL10039948 0.69 KMT2A (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13510014 0.69 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1PDE10ASMN1; SMN2
SCHEMBL15705802 0.69 KMT2A (0.53) KMT2AMEN1GAAMAPK1ALPL

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
EP-3607821-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics, Inc. (US) 2020-02-12 EP disclosed