SCHEMBL38650588

SCHEMBL38650588

CC(C)c1ccnn(Cc2c(Cl)cc(N)cc2Cl)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 8/20 0.37
▸ HTT P42858 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MCHR1 Q99705 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CCR2 P41597 2/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ BPTF Q12830 1/20 0.32

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
SCHEMBL30578650 0.79 NPBWR1 (0.38) NPBWR1NPSR1MCHR1SMN1; SMN2MEN1
SCHEMBL38650546 0.76 CYP17A1 (0.36) HTTALDH1A1LMNANPSR1RAB9A
SCHEMBL20444062 0.75 KDM5B (0.48) NPBWR1HTTALDH1A1LMNANPSR1
SCHEMBL24449323 0.73 HSP90AA1 (0.34) HTTALDH1A1LMNANPSR1RAB9A
SCHEMBL16448707 0.72 RAB9A (0.37) NPBWR1HTTALDH1A1NPSR1RAB9A
SCHEMBL23260588 0.72 THRA (0.64) —
SCHEMBL24449319 0.70 THRA (0.31) —
SCHEMBL21749380 0.68 NPBWR1 (0.47) NPBWR1NPSR1MCHR1
SCHEMBL24449325 0.68 GRIA1 (0.39) —
SCHEMBL2920651 0.68 THRA (0.57) CCR2CCR5

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-112805005-B Thyroxine receptor beta agonist compounds 拓臻股份有限公司 2026-05-12 — — CN disclosed
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