SCHEMBL9550835

SCHEMBL9550835

O=C(NN1CCCC1=O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
MCL1 Q07820 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
DEGS1 O15121 1/20 0.43
BCHE P06276 2/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL29174211 0.82 HTT (0.56) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL11821225 0.78 HTT (0.47) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL1625851 0.74 LMNA (0.44) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL11463392 0.72 HTT (0.54) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL14539261 0.71 MEN1 (0.45) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL3226846 0.69 HPGDS (0.46) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL11577852 0.68 BCHE (0.56) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL31305702 0.68 HDAC1 (0.71) RAB9ANPC1CES2CES1DEGS1
SCHEMBL6010034 0.68 HDAC1 (0.71) RAB9ANPC1CES2CES1DEGS1
SCHEMBL3396184 0.68 TSHR (0.58) RAB9ANPC1MEN1KMT2AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110603333-A Method for improved rapid antimicrobial sensitivity testing 赛录科试诊断公司 2019-12-20 CN disclosed
CN-1142773-A Probiotic for control of salmonella US AGRICULTURE (US) 1997-02-12 CN disclosed
US-5256537-A Culturette safety sleeve BECTON, DICKINSON AND COMPANY (US) 1993-10-26 US disclosed