SCHEMBL31219331

SCHEMBL31219331

COc1ccc(C(=O)Nc2nc3ccc(N)cc3s2)cc1

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 17/20 0.87
NPC1 O15118 5/20 0.82
RAB9A P51151 5/20 0.82
MEN1 O00255 4/20 0.82
KMT2A Q03164 4/20 0.82
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 3/20 0.71
RXFP1 Q9HBX9 2/20 0.71
NPSR1 Q6W5P4 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
ATM Q13315 1/20 0.67
HPGD P15428 1/20 0.63

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
SCHEMBL22130146 1.00 SCD (0.87) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4391114 0.93 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16554319 0.91 SCD (0.75) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL31243 0.90 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4912185 0.89 SCD (0.73) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2483241 0.87 SCD (0.84) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2753553 0.87 SCD (0.93) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL31055 0.87 SCD (0.84) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL7127611 0.86 NPC1 (0.71) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4255595 0.86 KDM4E (0.73) SCDNPC1RAB9AMEN1KMT2A

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-113727972-B Novel hydrazone derivatives having terminal amine groups substituted with aryl or heteroaryl groups and use thereof 韩国科学技术研究院 2024-12-27 CN disclosed