SCHEMBL28033274

SCHEMBL28033274

Nc1ncc(C(=O)c2ccc3ccccc3c2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.57
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HPGD P15428 3/20 0.57
CYP1A2 P05177 3/20 0.57
CYP2C19 P33261 2/20 0.57
RECQL P46063 1/20 0.57
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
MAPT P10636 3/20 0.43
HSD17B14 Q9BPX1 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43

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
SCHEMBL28033278 0.75 ALDH1A1 (0.48) RAB9AALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL28033825 0.75 NPC1 (0.61) RAB9AALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10768583 0.75 HPGD (0.57) RAB9AALDH1A1MEN1KMT2AHPGD
SCHEMBL30250451 0.73 CES2 (0.74) RAB9AALDH1A1MEN1KMT2AHPGD
SCHEMBL29613672 0.73 CES2 (0.74) RAB9AALDH1A1MEN1KMT2AHPGD
SCHEMBL941698 0.73 CES2 (0.74) RAB9AALDH1A1MEN1KMT2AHPGD
SCHEMBL28260363 0.72 DYRK1A (0.69) RAB9AALDH1A1MEN1KMT2AHPGD
SCHEMBL28033272 0.72 NPC1 (0.43) RAB9AALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL27826301 0.71 CES2 (0.71) RAB9AALDH1A1MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL27733605 0.71 CES2 (0.71) RAB9AALDH1A1MEN1KMT2AHPGD

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
CN-104870464-A polymannosides, method for the production thereof and their use as medicaments CENTRE NAT RECH SCIENT 2015-08-26 CN disclosed