SCHEMBL30438192

SCHEMBL30438192

COCCN(C)C(=O)c1ccc2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.51
SCN9A Q15858 1/20 0.51
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
MGAM O43451 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CNR2 P34972 3/20 0.48
LMNA P02545 1/20 0.48
HTR2C P28335 1/20 0.47
KDM4C Q9H3R0 1/20 0.47

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
SCHEMBL747828 0.82 NPC1 (0.64) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL30437926 0.82 NPC1 (0.64) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL3655341 0.79 MGAM (0.54) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL29289908 0.78 KDM4E (0.50) KMT2ASCN9AKDM4ELMNAHTR2C
SCHEMBL1839801 0.78 LMNA (0.64) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL29289659 0.77 CYP1A2 (0.48) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL29289913 0.76 HTR2C (0.44) NPC1RAB9ASCN9AHTR2C
SCHEMBL29044143 0.74 MEN1 (0.66) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL4097521 0.74 ALDH1A1 (0.76) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL634452 0.73 NAMPT (0.56) RAB9AMEN1KMT2A

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-111278817-B Polycyclic compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-05-16 CN claimed