SCHEMBL22756115

SCHEMBL22756115

CC(=O)C(C)(C)OC(=O)c1cncn1C(C)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.67
▸ GABRA1 P14867 7/20 0.65
▸ GABRB2 P47870 6/20 0.65
▸ CYP1A2 P05177 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ CYP11B1 P15538 2/20 0.65
▸ CYP11B2 P19099 2/20 0.65
▸ LMNA P02545 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ ABCB11 O95342 1/20 0.65
▸ GABRA2 P47869 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ GPBAR1 Q8TDU6 4/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL22696793 1.00 MAPK1 (0.67) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL22696701 0.89 MAPK1 (0.72) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL22756042 0.89 MAPK1 (0.72) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL15125296 0.88 MAPK1 (0.72) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL22696782 0.87 GABRA1 (0.67) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL22756100 0.87 GABRA1 (0.67) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL22756033 0.87 GABRA1 (0.70) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL22696702 0.87 GABRA1 (0.70) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL5103242 0.86 MAPK1 (0.69) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL22696779 0.86 GABRA1 (0.65) MAPK1GABRA1GABRB2CYP1A2CYP3A4

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
EP-3747869-A1 SUBSTITUTED IMIDAZOLE FORMATE DERIVATIVE AND USE THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2020-12-09 — — EP disclosed
Send feedback