SCHEMBL30578650

SCHEMBL30578650

CC(C)c1ccnn(-c2c(Cl)cc(N)cc2Cl)c1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 9/20 0.38
▸ MCHR1 Q99705 7/20 0.38
▸ ANPEP P15144 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CRHR1 P34998 1/20 0.31
▸ KDR P35968 1/20 0.31

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
SCHEMBL38650588 0.79 NPBWR1 (0.37) NPBWR1MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL20444069 0.69 GAA (0.46) NPBWR1SMN1; SMN2NPSR1
SCHEMBL24878378 0.67 ALDH1A1 (0.44) NPBWR1MCHR1HPGDSMN1; SMN2NPSR1
SCHEMBL16448707 0.66 RAB9A (0.37) NPBWR1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL30578652 0.66 CYP3A4 (0.31) —
SCHEMBL30578651 0.66 CYP3A4 (0.31) —
SCHEMBL19723234 0.66 KAT2B (0.36) KMT2A
SCHEMBL20444062 0.64 KDM5B (0.48) NPBWR1HPGDSMN1; SMN2NPSR1
SCHEMBL31524249 0.63 THRB (0.35) NPBWR1MCHR1
SCHEMBL29986595 0.63 NPBWR1 (0.36) NPBWR1MCHR1SMN1; SMN2NPSR1

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-116768802-A Synthesis method of rismiterol 杭州科巢生物科技有限公司 2023-09-19 — — CN claimed
CN-116768802-A Synthesis method of rismiterol 杭州科巢生物科技有限公司 2023-09-19 — — CN disclosed
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