SCHEMBL31228755

SCHEMBL31228755

CCOC(=O)c1nc2ccc(Cl)cc2cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
TARBP2 Q15633 1/20 0.49
GLP1R P43220 1/20 0.46
ALOX15 P16050 1/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL15124569 1.00 ADORA2A (0.49) ADORA2ATARBP2GLP1RALOX15GABRA2
SCHEMBL20580519 0.88 ADORA2A (0.47) ADORA2ATARBP2GLP1RALOX15GABRA2
SCHEMBL10665205 0.85 TSHR (0.58) ADORA2ATARBP2GLP1RALOX15TSHR
SCHEMBL17824505 0.84 ALDH1A1 (0.51) TARBP2GABRA2TSHRALDH1A1SIRT2
SCHEMBL1506611 0.82 ALDH1A1 (0.50) GLP1RTSHRALDH1A1KDM4EHPGD
SCHEMBL17824499 0.82 TARBP2 (0.47) ADORA2ATARBP2GLP1RALOX15GABRA2
SCHEMBL790106 0.81 ADORA2A (0.55) ADORA2AALOX15TSHRALDH1A1KDM4E
SCHEMBL22621339 0.78 PIM1 (0.42) TSHRALDH1A1RXFP1HPGDMAPT
SCHEMBL31228714 0.78 PIM1 (0.42) TSHRALDH1A1RXFP1HPGDMAPT
SCHEMBL28343060 0.78 GLP1R (0.51) ADORA2ATARBP2GLP1RALOX15GABRA2

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-118724806-A Deuterated compounds and their use 奥尔德拉医疗公司 2024-10-01 CN disclosed