SCHEMBL31591998

SCHEMBL31591998

Cc1ccc2nc(-c3ccc(C(c4ccc([N+](=O)[O-])cc4)S(N)(=O)=O)cc3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.62
PTPN1 P18031 1/20 0.53
APP P05067 6/20 0.52
MAPT P10636 6/20 0.52
GAA P10253 5/20 0.52
KDM4E B2RXH2 4/20 0.52
GLA P06280 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
CCNE1 P24864 2/20 0.52
CDK2 P24941 2/20 0.52
CDK5 Q00535 2/20 0.52
CDK5R1 Q15078 2/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 4/20 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
SCHEMBL31592018 0.91 RORC (0.53) RORCPTPN1APPMAPTGAA
SCHEMBL31591984 0.89 MAPT (0.61) RORCAPPMAPTGAAKDM4E
SCHEMBL10311768 0.87 RORC (0.71) RORCPTPN1APPMAPTGAA
SCHEMBL31592004 0.86 RORC (0.60) RORCAPPMAPTGAAKDM4E
SCHEMBL31591996 0.85 RORC (0.49) RORCPTPN1APPMAPTGAA
SCHEMBL2628245 0.84 RORC (0.68) RORCPTPN1APPMAPTGAA
SCHEMBL31592002 0.82 MAPT (0.53) RORCAPPMAPTGAAKDM4E
SCHEMBL31591973 0.80 RORC (0.59) RORCPTPN1APPMAPTGAA
SCHEMBL1983033 0.80 RORC (0.63) RORCPTPN1APPMAPTGAA
SCHEMBL1983034 0.80 RORC (0.63) RORCPTPN1APPMAPTGAA

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