SCHEMBL28721300

SCHEMBL28721300

CCC(Nc1nc(Cl)ncc1C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.46
▸ EGFR P00533 3/20 0.43
▸ ATP1A1 P05023 1/20 0.43
▸ ATP1B1 P05026 1/20 0.43
▸ ATP1A3 P13637 1/20 0.43
▸ ATP1B2 P14415 1/20 0.43
▸ ATP1A2 P50993 1/20 0.43
▸ ATP1B3 P54709 1/20 0.43
▸ FXYD2 P54710 1/20 0.43
▸ ATP1A4 Q13733 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ P2RX3 P56373 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ASPH Q12797 1/20 0.40
▸ KDM8 Q8N371 1/20 0.40
▸ USP1 O94782 1/20 0.39
▸ WDR48 Q8TAF3 1/20 0.39

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
SCHEMBL29608562 1.00 CRHR1 (0.46) CRHR1EGFRATP1A1ATP1B1ATP1A3
SCHEMBL14670663 0.88 USP1 (0.51) CRHR1EGFRRPS6KB1P2RX3USP1
SCHEMBL14670585 0.88 USP1 (0.51) CRHR1EGFRRPS6KB1P2RX3USP1
SCHEMBL30930030 0.88 USP1 (0.51) CRHR1EGFRRPS6KB1P2RX3USP1
SCHEMBL14670659 0.87 EGFR (0.43) CRHR1EGFRATP1A1ATP1B1ATP1A3
SCHEMBL22866341 0.81 HTT (0.48) HDAC4HDAC1HDAC6KDM4ELMNA
SCHEMBL22866072 0.77 CRHR1 (0.47) CRHR1
SCHEMBL906025 0.77 GRM5 (0.36) CRHR1RPS6KB1P2RX3KDM4EUSP1
SCHEMBL16230350 0.77 GRM5 (0.36) CRHR1RPS6KB1P2RX3KDM4EUSP1
SCHEMBL22866186 0.76 GLP1R (0.40) CRHR1LMNA

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-114341145-A Chemical compound 博拉公司 2022-04-12 — — CN disclosed
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