SCHEMBL31590859

SCHEMBL31590859

Cc1cc(Nc2ccccc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.63
▸ LMNA P02545 3/20 0.63
▸ TSHR P16473 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ ATM Q13315 1/20 0.63
▸ ALDH1A1 P00352 5/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ HTT P42858 3/20 0.57
▸ SLC2A1 P11166 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ ALOX15 P16050 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ S1PR4 O95977 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ ALPL P05186 1/20 0.57
▸ S1PR1 P21453 1/20 0.57
▸ AGTR1 P30556 1/20 0.57
▸ OPRK1 P41145 1/20 0.57

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 0.90 SMN1; SMN2 (0.70) MAPTLMNATSHRMEN1KMT2A
SCHEMBL31590700 0.88 MAPT (0.58) MAPTLMNATSHRMEN1KMT2A
SCHEMBL31590614 0.88 MAPT (0.58) MAPTLMNATSHRMEN1KMT2A
SCHEMBL31590505 0.88 MAPT (0.58) MAPTLMNATSHRMEN1KMT2A
SCHEMBL31591037 0.86 MAPT (0.55) MAPTLMNATSHRMEN1KMT2A
SCHEMBL31590936 0.86 MAPT (0.56) MAPTLMNATSHRMEN1KMT2A
SCHEMBL31590900 0.85 KCNJ6 (0.62) MAPTLMNATSHRMEN1KMT2A
SCHEMBL31591010 0.85 MAPT (0.55) MAPTLMNATSHRMEN1KMT2A
SCHEMBL31590588 0.85 SMN1; SMN2 (0.55) MAPTLMNATSHRMEN1KMT2A
SCHEMBL31590904 0.84 MAPT (0.54) MAPTLMNATSHRMEN1KMT2A

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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