SCHEMBL17340673

SCHEMBL17340673

C[C@@H](NCc1ccn(Cc2ccccc2)c(=O)c1N=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.71
VEGFA P15692 5/20 0.71
CASR P41180 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK14 Q16539 2/20 0.39
BRD4 O60885 2/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
APAF1 O14727 1/20 0.37

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
SCHEMBL15314765 0.84 EGLN1 (0.51) EGLN1VEGFAMAPK14BRD4BRD2
SCHEMBL272200 0.83 EGLN1 (1.00) EGLN1VEGFACASRSMN1; SMN2MEN1
SCHEMBL271606 0.83 EGLN1 (1.00) EGLN1VEGFACASRSMN1; SMN2MEN1
SCHEMBL17340697 0.75 VEGFA (0.67) EGLN1VEGFASMN1; SMN2
SCHEMBL3538788 0.75 VEGFA (0.82) EGLN1VEGFACASRMEN1KMT2A
SCHEMBL17340661 0.73 VEGFA (0.57) EGLN1VEGFAMAPK14
SCHEMBL15314775 0.72 KMT2A (0.47) EGLN1VEGFASMN1; SMN2MEN1KMT2A
SCHEMBL17340685 0.70 EGLN1 (0.50) EGLN1VEGFAMAPK14
SCHEMBL6693007 0.70 VEGFA (0.55) EGLN1VEGFASMN1; SMN2MEN1KMT2A
SCHEMBL9732459 0.69 KMT2A (0.59) EGLN1VEGFASMN1; SMN2MEN1KMT2A

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-2954899-A1 COMPOSITIONS AND METHODS FOR TREATING COLITIS Aerpio Therapeutics, Inc. (US) 2015-12-16 EP disclosed