SCHEMBL28041343

SCHEMBL28041343

COC(=O)c1ccc2ncc(-c3ccccc3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.75
NPC1 O15118 2/20 0.75
HPGD P15428 3/20 0.63
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PDGFRB P09619 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51

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
SCHEMBL27963658 0.87 HPGD (0.64) RAB9ANPC1HPGDMAPTSMN1; SMN2
SCHEMBL29893391 0.85 HPGD (0.61) RAB9ANPC1HPGDSMN1; SMN2HDAC6
SCHEMBL4902871 0.85 RAB9A (0.64) RAB9ANPC1HPGDMAPTSMN1; SMN2
SCHEMBL397896 0.84 NPC1 (0.67) RAB9ANPC1HPGDMAPTSMN1; SMN2
SCHEMBL401620 0.82 RAB9A (0.62) RAB9ANPC1HPGDMAPTSMN1; SMN2
SCHEMBL25977894 0.82 GABRG2 (0.51) RAB9ANPC1HPGDMAPTSMN1; SMN2
SCHEMBL17184512 0.82 NPC1 (0.64) RAB9ANPC1HPGDMAPTSMN1; SMN2
SCHEMBL9939451 0.82 HPGD (0.64) RAB9ANPC1HPGDMAPTKMT2A
SCHEMBL26613609 0.81 ALOX15 (0.57) RAB9ANPC1HPGDMAPTSMN1; SMN2
SCHEMBL29437732 0.81 ALOX15 (0.57) RAB9ANPC1HPGDMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103702985-B As CRTH 2the quinoxaline of receptor modulators and azaquinoxaline MERCK SHARP & DOHME CORP. (US) 2016-02-17 CN disclosed
CN-102656163-B Suppress the heterogeneous ring compound of PASK BIOENERGENIX (US) 2016-01-13 CN disclosed