SCHEMBL9254764

SCHEMBL9254764

N=C(NC(=O)OCc1ccccc1)c1ccc(-c2ccc(-c3nnc(CCC(=O)OCOC(=O)OC4CCCCC4)s3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
GLS O94925 4/20 0.36
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MASP2 O00187 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP1 P29466 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9253457 0.83 PRSS1 (0.41) MAPK1ALDH1A1LMNARAB9A
SCHEMBL9260202 0.83 SMN1; SMN2 (0.39) GLSMAPK1L3MBTL1MEN1KMT2A
SCHEMBL9259284 0.78 PDK1 (0.35) EPHX1MEN1KMT2AMASP2
SCHEMBL9250720 0.78 SMN1; SMN2 (0.39) GLSMAPK1L3MBTL1SMN1; SMN2MASP2
SCHEMBL9257782 0.73 CSNK2A2 (0.39) GLSKMT2ASMN1; SMN2HDAC6RAB9A
SCHEMBL7301568 0.72 ITGB3 (0.47) EPHX1KMT2ASMN1; SMN2MASP2ALDH1A1
SCHEMBL9245964 0.72 CYP1A2 (0.37) SMN1; SMN2ALDH1A1LMNA
SCHEMBL7309683 0.72 ITGB3 (0.48) EPHX1KMT2ASMN1; SMN2MASP2ALDH1A1
SCHEMBL9257665 0.70 EDNRB (0.36) EPHX1MAPK1MEN1KMT2AMASP2
SCHEMBL9568134 0.69 YAP1 (0.39) EPHX1KMT2ASMN1; SMN2MASP2ALDH1A1

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
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed