SCHEMBL31590900

SCHEMBL31590900

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 2/20 0.62
▸ KCNJ5 P48544 2/20 0.62
▸ KCNJ3 P48549 2/20 0.62
▸ TSHR P16473 2/20 0.62
▸ NTRK1 P04629 4/20 0.54
▸ SLC2A1 P11166 3/20 0.54
▸ ATM Q13315 2/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CFTR P13569 1/20 0.49
▸ ADCY8 P40145 2/20 0.49
▸ ADCY1 Q08828 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SAE1 Q9UBE0 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 1/20 0.47

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
SCHEMBL31591016 0.89 KMT2A (0.58) KCNJ6KCNJ5KCNJ3TSHRSLC2A1
SCHEMBL31590859 0.85 MAPT (0.63) TSHRSLC2A1ATMMAPTKDM4E
SCHEMBL31590750 0.83 MAPT (0.50) KCNJ6KCNJ5KCNJ3TSHRNTRK1
SCHEMBL31590599 0.82 ADCY8 (0.51) SLC2A1KDM4EADCY8ADCY1
SCHEMBL31590680 0.81 SLC2A1 (0.46) NTRK1SLC2A1KDM4EALDH1A1CFTR
SCHEMBL31590776 0.80 ADCY1 (0.55) NTRK1SLC2A1MAPTKDM4EALDH1A1
SCHEMBL31590897 0.80 ADCY1 (0.55) SLC2A1MAPTKDM4EALDH1A1ADCY8
SCHEMBL23249435 0.79 SLC2A1 (0.62) KCNJ6KCNJ5KCNJ3TSHRSLC2A1
SCHEMBL13235060 0.77 KCNJ6 (1.00) KCNJ6KCNJ5KCNJ3TSHRNTRK1
SCHEMBL31591054 0.77 SLC2A1 (0.45) TSHRSLC2A1ATMMAPTKDM4E

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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