SCHEMBL7994259

SCHEMBL7994259

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(c1ccc2c(c1)OCO2)C(O)(c1ccccn1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ECE1 P42892 7/20 0.48
ACE P12821 2/20 0.48
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7993634 0.92 SMN1; SMN2 (0.53) MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7990331 0.83 MAPK1 (0.52) MAPK1SMN1; SMN2ECE1ACEITGB2
Hydrochloric Acid SCHEMBL7975805 0.80 ECE1 (0.53) MAPK1SMN1; SMN2ECE1ACEMEN1
SCHEMBL7987497 0.80 MAPK1 (0.58) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7989694 0.79 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7993356 0.79 ECE1 (0.59) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7987457 0.79 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7988097 0.79 ACE (0.59) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7994202 0.78 ECE1 (0.60) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7987502 0.78 MAPK1 (0.58) MAPK1SMN1; SMN2ECE1ACE

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-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed