SCHEMBL7787102

SCHEMBL7787102

NN=CNc1cccc(C(=O)Nc2ccc(OC(=O)CCC(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
NPC1 O15118 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
ITGB1 P05556 2/20 0.45
ITGAV P06756 2/20 0.45
ITGB5 P18084 2/20 0.45
RAB9A P51151 1/20 0.44
NR1H4 Q96RI1 3/20 0.44
FFAR1 O14842 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.42
BACE1 P56817 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7378959 0.84 ITGB3 (0.64) KMT2AMEN1NPC1HTTMAPT
SCHEMBL7373424 0.82 ITGB3 (0.64) KMT2AMEN1SMN1; SMN2ITGB3ITGA2B
SCHEMBL7457481 0.81 NR1H4 (0.67) KMT2AMEN1ITGB3ITGA2BITGB1
SCHEMBL7377737 0.79 KMT2A (0.50) KMT2AMEN1NPC1HTTMAPT
SCHEMBL7380126 0.78 ITGB3 (0.53) KMT2AMEN1NPC1SMN1; SMN2ITGB3
SCHEMBL7503150 0.78 KMT2A (0.50) KMT2AMEN1NPC1SMN1; SMN2ITGB3
SCHEMBL7861974 0.78 ITGB3 (0.64) SMN1; SMN2ITGB3ITGA2BITGB1ITGAV
SCHEMBL7449520 0.77 GAA (0.47) KMT2AMEN1NPC1MAPTITGB3
SCHEMBL7378119 0.77 MEN1 (0.47) KMT2AMEN1SMN1; SMN2ITGB3ITGA2B
SCHEMBL7372911 0.77 ITGB3 (0.54) NPC1SMN1; SMN2ITGB3ITGA2BITGB1

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
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US claimed