SCHEMBL31592002

SCHEMBL31592002

Cc1ccc2nc(-c3ccc(C(c4ccc(C(F)(F)F)cc4)S(N)(=O)=O)cc3)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
APP P05067 5/20 0.53
GAA P10253 5/20 0.53
KDM4E B2RXH2 4/20 0.53
GLA P06280 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
TP53 P04637 2/20 0.51
ALDH1A1 P00352 6/20 0.49
HPGD P15428 6/20 0.49
RORC P51449 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSP90AA1 P07900 1/20 0.48
SNCA P37840 1/20 0.48

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
SCHEMBL31591984 0.90 MAPT (0.61) MAPTAPPGAAKDM4EGLA
SCHEMBL18470569 0.85 APP (0.71) MAPTAPPGAAKDM4EGLA
SCHEMBL31592004 0.85 RORC (0.60) MAPTAPPGAAKDM4EGLA
SCHEMBL31591998 0.82 RORC (0.62) MAPTAPPGAAKDM4EGLA
SCHEMBL24038123 0.79 APP (0.63) MAPTAPPGAAKDM4EGLA
SCHEMBL12422056 0.78 APP (0.61) MAPTAPPGAAKDM4EGLA
SCHEMBL31592018 0.78 RORC (0.53) MAPTAPPGAAKDM4EGLA
SCHEMBL24185753 0.76 RORC (0.75) MAPTAPPGAAKDM4EGLA
SCHEMBL31591996 0.76 RORC (0.49) MAPTAPPGAAKDM4EGLA
SCHEMBL3921428 0.75 MAPT (0.67) MAPTAPPGAAKDM4EGLA

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-113912563-B Benzo five-membered nitrogen heterocyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2025-05-27 CN disclosed