SCHEMBL31590614

SCHEMBL31590614

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ NPSR1 Q6W5P4 5/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ HTT P42858 3/20 0.58
▸ SLC2A1 P11166 3/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ S1PR4 O95977 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ ALPL P05186 1/20 0.58
▸ S1PR1 P21453 1/20 0.58
▸ AGTR1 P30556 1/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ LMNA P02545 4/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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 0.91 SMN1; SMN2 (0.70) MAPTNPSR1SMN1; SMN2ALDH1A1HTT
SCHEMBL31590700 0.88 MAPT (0.58) MAPTNPSR1SMN1; SMN2ALDH1A1HTT
SCHEMBL31590505 0.88 MAPT (0.58) MAPTNPSR1SMN1; SMN2ALDH1A1HTT
SCHEMBL31590859 0.88 MAPT (0.63) MAPTNPSR1SMN1; SMN2ALDH1A1HTT
SCHEMBL31591010 0.88 MAPT (0.55) MAPTNPSR1SMN1; SMN2ALDH1A1HTT
SCHEMBL31590936 0.86 MAPT (0.56) MAPTNPSR1SMN1; SMN2ALDH1A1HTT
SCHEMBL31590588 0.85 SMN1; SMN2 (0.55) MAPTNPSR1SMN1; SMN2ALDH1A1HTT
SCHEMBL31590904 0.84 MAPT (0.54) MAPTNPSR1SMN1; SMN2ALDH1A1HTT
SCHEMBL31591037 0.84 MAPT (0.55) MAPTNPSR1SMN1; SMN2ALDH1A1HTT
SCHEMBL31591054 0.80 SLC2A1 (0.45) MAPTNPSR1SMN1; SMN2ALDH1A1HTT

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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