SCHEMBL28357336

SCHEMBL28357336

N=C(NO)C1CC(=O)N(c2cnn3c2CN(C(=O)O)C(C2CC2)C3)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.31
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30

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
SCHEMBL28357291 0.84 MAPT (0.30) MAPTCASP1CASP7
SCHEMBL28357608 0.79 — —
SCHEMBL28357607 0.79 HTR6 (0.39) —
SCHEMBL17926097 0.77 HDAC1 (0.32) —
SCHEMBL17926095 0.77 HDAC1 (0.32) —
SCHEMBL28357280 0.74 CCR5 (0.31) —
SCHEMBL17926361 0.72 MAPT (0.36) MAPTCASP1CASP7
SCHEMBL17925575 0.70 ALDH1A1 (0.37) MAPTCASP1CASP7
SCHEMBL28357473 0.69 MEN1 (0.39) MAPT
SCHEMBL19786570 0.68 MEN1 (0.36) MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110804061-B Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof 中国医学科学院医药生物技术研究所 2021-01-05 — — CN disclosed
CN-110804061-A Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof 中国医学科学院医药生物技术研究所 2020-02-18 — — CN disclosed
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