SCHEMBL30035540

SCHEMBL30035540

Cn1cc(C(=O)C(=O)NCC#N)cc1C(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAOB P27338 3/20 0.44
▸ MAOA P21397 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ BACE1 P56817 1/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36

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
SCHEMBL19332051 1.00 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL30035566 0.84 RAB9A (0.45) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL19332152 0.84 RAB9A (0.45) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL19347052 0.83 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL22511117 0.83 GRM4 (0.43) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL16416857 0.82 RAB9A (0.52) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL19332144 0.81 RAB9A (0.57) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL16417092 0.81 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL19881940 0.80 GRM4 (0.42) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL16416826 0.78 MAOB (0.46) RAB9ANPC1MAPTSMN1; SMN2POLB

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-109153640-B Eliminating hepatitis B virus with antiviral agent 埃默里大学 2022-10-28 — — CN disclosed
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