SCHEMBL29874992

SCHEMBL29874992

O=C(O)CNCc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 4/20 0.60
MC5R P33032 3/20 0.60
MC3R P41968 2/20 0.60
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
SSTR3 P32745 1/20 0.54
SLC6A2 P23975 1/20 0.54
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53

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
SCHEMBL250139 1.00 MC1R (0.60) MC1RMC5RMC3RKDM4EMAPT
SCHEMBL26292984 0.86 MC1R (0.59) MC1RMC5RMC3RKDM4EMAPT
SCHEMBL29489675 0.85 MC5R (0.66) MC1RMC5RMC3RKDM4EMAPT
SCHEMBL660463 0.85 MC5R (0.66) MC1RMC5RMC3RKDM4EMAPT
SCHEMBL468296 0.82 LMNA (0.65) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29411993 0.82 LMNA (0.65) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4079184 0.81 MGAM (0.53) MC1RMC5RMC3RMAPTMEN1
SCHEMBL11568830 0.80 MC1R (0.59) MC1RMC5RMC3RKDM4EMAPT
SCHEMBL31370294 0.80 GLS (0.46) MC1RMC5RMC3RKDM4EMAPT
Indolylpropionic Acid SCHEMBL29374161 0.79 MAPT (0.68) KDM4EMAPTMEN1KMT2ASMN1; SMN2

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-109689676-B Novel compound 帝斯曼知识产权资产管理有限公司 2022-10-18 CN disclosed