SCHEMBL31474763

SCHEMBL31474763

Cc1cc(C)c2nc(-c3ccc(Cl)cc3)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.66
MGAM O43451 4/20 0.66
SI P14410 4/20 0.66
MGAM2 Q2M2H8 4/20 0.66
RPS6KA3 P51812 1/20 0.52
DHODH Q02127 7/20 0.50
GUSB P08236 1/20 0.49
TNKS O95271 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 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
SCHEMBL31474773 0.89 RPS6KA3 (0.56) GAAMGAMSIMGAM2RPS6KA3
SCHEMBL31474741 0.84 RPS6KA3 (0.64) GAAMGAMSIMGAM2RPS6KA3
SCHEMBL31474760 0.84 MGAM (0.66) GAAMGAMSIMGAM2RPS6KA3
SCHEMBL28872962 0.84 RPS6KA3 (0.72) GAAMGAMSIMGAM2RPS6KA3
SCHEMBL29899918 0.84 RPS6KA3 (0.72) GAAMGAMSIMGAM2RPS6KA3
SCHEMBL3332631 0.84 MGAM (0.74) GAAMGAMSIMGAM2RPS6KA3
SCHEMBL19994538 0.79 GAA (0.62) GAAMGAMSIMGAM2RPS6KA3
SCHEMBL31474747 0.79 MMP2 (0.66) GAAGUSBTNKSTNKS2MAPK1
SCHEMBL20001713 0.77 AURKA (0.61) GAAMGAMSIMGAM2RPS6KA3
SCHEMBL19994750 0.75 CHEK2 (0.56) GAAMGAMSIMGAM2DHODH

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