SCHEMBL31474773

SCHEMBL31474773

Cc1ccc(-c2nc3c(C)cc(C)cc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.56
DHODH Q02127 9/20 0.54
MGAM O43451 5/20 0.50
GAA P10253 5/20 0.50
SI P14410 5/20 0.50
MGAM2 Q2M2H8 5/20 0.50
TNKS O95271 1/20 0.48
PARP1 P09874 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NPBWR1 P48145 1/20 0.47

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
SCHEMBL31474760 0.89 MGAM (0.66) RPS6KA3DHODHMGAMGAASI
SCHEMBL31474763 0.89 GAA (0.66) RPS6KA3DHODHMGAMGAASI
SCHEMBL31474741 0.89 RPS6KA3 (0.64) RPS6KA3DHODHMGAMGAASI
SCHEMBL29899918 0.88 RPS6KA3 (0.72) RPS6KA3DHODHMGAMGAASI
SCHEMBL28872962 0.88 RPS6KA3 (0.72) RPS6KA3DHODHMGAMGAASI
SCHEMBL31474747 0.82 MMP2 (0.66) GAATNKSPARP1TNKS2NPC1
SCHEMBL6056826 0.79 MGAM (0.77) MGAMGAASIMGAM2TNKS
SCHEMBL3332631 0.79 MGAM (0.74) RPS6KA3DHODHMGAMGAASI
SCHEMBL19994501 0.77 DHODH (0.44) RPS6KA3DHODHMGAMGAASI
SCHEMBL30343712 0.77 DHODH (0.44) RPS6KA3DHODHMGAMGAASI

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-119707829-A 2-Phenyl-benzo nitrogen-containing heterocyclic compound, and preparation method and application thereof 合肥大学 2025-03-28 CN disclosed