SCHEMBL31590904

SCHEMBL31590904

Cc1cc(Nc2ccc([N+](=O)[O-])cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ HTT P42858 4/20 0.54
▸ NPSR1 Q6W5P4 4/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ SLC2A1 P11166 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ S1PR4 O95977 1/20 0.54
▸ ALPL P05186 1/20 0.54
▸ S1PR1 P21453 1/20 0.54
▸ AGTR1 P30556 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ LMNA P02545 6/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL31590526 0.87 SMN1; SMN2 (0.70) MAPTSMN1; SMN2HTTNPSR1MAPK1
SCHEMBL31590614 0.84 MAPT (0.58) MAPTSMN1; SMN2HTTNPSR1MAPK1
SCHEMBL31590700 0.84 MAPT (0.58) MAPTSMN1; SMN2HTTNPSR1MAPK1
SCHEMBL31590505 0.84 MAPT (0.58) MAPTSMN1; SMN2HTTNPSR1MAPK1
SCHEMBL31590859 0.84 MAPT (0.63) MAPTSMN1; SMN2HTTNPSR1MAPK1
SCHEMBL31590936 0.83 MAPT (0.56) MAPTSMN1; SMN2HTTNPSR1MAPK1
SCHEMBL31590588 0.82 SMN1; SMN2 (0.55) MAPTSMN1; SMN2HTTNPSR1MAPK1
SCHEMBL31591010 0.82 MAPT (0.55) MAPTSMN1; SMN2HTTNPSR1MAPK1
SCHEMBL31591037 0.81 MAPT (0.55) MAPTSMN1; SMN2HTTNPSR1MAPK1
SCHEMBL31590684 0.80 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1KDM4ERAB9A

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-120040420-A Heterocyclic-pyrazole amine derivatives, preparation method thereof and application thereof in resisting tubercle bacillus infection 中国医学科学院医药生物技术研究所 2025-05-27 — — CN disclosed
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