SCHEMBL9045252

SCHEMBL9045252

COC(=O)c1ccc(CCn2cnc3nc(CC(=O)C(C)(C)C)cc-3c2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
YTHDC1 Q96MU7 1/20 0.39
EP300 Q09472 3/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CKS1B P61024 1/20 0.36
SKP2 Q13309 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP4A11 Q02928 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9045449 0.83 YTHDC1 (0.39) YTHDC1EP300CYP1A2CYP3A4CYP2C9
SCHEMBL9045295 0.83 GAA (0.43) MAPTYTHDC1EP300CYP1A2CYP3A4
SCHEMBL9045484 0.78 CYP4A11 (0.45) YTHDC1EP300CYP1A2CYP3A4CYP2C9
SCHEMBL9045504 0.73 NR3C2 (0.39) MAPTKDM4ETP53SMN1; SMN2LMNA
SCHEMBL9045926 0.71 YTHDC1 (0.45) YTHDC1EP300CYP1A2CYP3A4CYP2C9
SCHEMBL9044712 0.71 ADORA1 (0.38) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9046639 0.69 EP300 (0.40) YTHDC1EP300TP53CA1CA2
SCHEMBL9045256 0.67 KDM4E (0.39) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12537305 0.64 YTHDC1 (0.64) YTHDC1EP300CYP4A11
SCHEMBL9045967 0.64 SMN1; SMN2 (0.39) MAPTALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 EP disclosed
EP-0432677-A1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-19 EP disclosed