SCHEMBL11735992

SCHEMBL11735992

CCCNc1cccc(C(C)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.58
GAA P10253 2/20 0.58
RAB9A P51151 3/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 3/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
MCL1 Q07820 1/20 0.52
NOX1 Q9Y5S8 1/20 0.52
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL873032 0.86 AKR1C3 (0.61) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8285571 0.86 KMT2A (0.59) HPGDSMN1; SMN2GAARAB9ALMNA
SCHEMBL18893559 0.85 MEN1 (0.54) KMT2AMEN1
SCHEMBL11115690 0.83 KMT2A (0.61) HPGDSMN1; SMN2GAARAB9ALMNA
SCHEMBL11108977 0.83 KMT2A (0.53) HPGDSMN1; SMN2GAARAB9ALMNA
SCHEMBL25722908 0.82 MAPT (0.75) HPGDSMN1; SMN2GAARAB9ALMNA
SCHEMBL3685150 0.82 HTT (0.54) HPGDSMN1; SMN2GAARAB9AKMT2A
SCHEMBL27536284 0.82 HPGD (0.53) HPGDSMN1; SMN2GAARAB9AKMT2A
SCHEMBL11113486 0.82 KMT2A (0.51) HPGDSMN1; SMN2GAARAB9ALMNA
SCHEMBL10145068 0.81 RAB9A (0.61) HPGDSMN1; SMN2RAB9ALMNAKMT2A

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
US-4053470-A BACTERICIDES, ANTIBIOTICS PARKE, DAVIS & COMPANY (US) 1977-10-11 US disclosed
US-3954734-A PENICILLIN AND CEPHALOSPORIN TYPE PARKE, DAVIS & COMPANY 1976-05-04 US disclosed