SCHEMBL11728742

SCHEMBL11728742

CCCC(=O)c1cccn1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.54
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ HSD17B3 P37058 1/20 0.41

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
SCHEMBL9264219 0.86 HRH2 (0.50) MAOBKMT2AHSD17B3
SCHEMBL28936624 0.86 HRH2 (0.50) MAOBKMT2AHSD17B3
SCHEMBL7814459 0.85 MAOB (0.54) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL8392453 0.84 MAOB (0.57) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL11219615 0.83 MAOB (0.53) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL14757597 0.80 MAOB (0.57) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL28703131 0.80 NPC1 (0.48) MAOBNPC1RAB9AKMT2AHPGD
SCHEMBL28719788 0.79 MAOB (0.53) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL28713425 0.79 NPC1 (0.61) MAOBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL6834190 0.78 MAOB (0.56) MAOBNPC1RAB9ASMN1; SMN2PKM

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
US-4002643-A REARRANGING WITH A STRONG, ANHYDROUS, NON-OXIDIZING ACID MCNEIL LABORATORIES, INC. (US) 1977-01-11 — — US disclosed
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