SCHEMBL8690657

SCHEMBL8690657

CCCn1nc(C(C)C)c(C(=O)OCC)c1Cc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SMAD3 P84022 2/20 0.39
APAF1 O14727 1/20 0.39
ALOX5 P09917 1/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
CYP19A1 P11511 1/20 0.36
ESR1 P03372 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
SCHEMBL8693592 0.94 HTT (0.42) HTTALDH1A1SMN1; SMN2SMAD3APAF1
SCHEMBL8691735 0.84 SMAD3 (0.40) HTTALDH1A1SMN1; SMN2SMAD3APAF1
SCHEMBL8691277 0.82 ALDH1A1 (0.47) HTTALDH1A1SMN1; SMN2ALOX5PDE3B
SCHEMBL8693020 0.82 ALDH1A1 (0.47) HTTALDH1A1SMN1; SMN2ALOX5PDE3B
SCHEMBL8690895 0.81 HTT (0.42) HTTALDH1A1SMN1; SMN2ALOX5PDE3B
SCHEMBL9060804 0.81 LTB4R2 (0.44)
SCHEMBL8690228 0.80 ALDH1A1 (0.41) HTTALDH1A1SMN1; SMN2SMAD3APAF1
SCHEMBL8694595 0.80
SCHEMBL8692878 0.77 HTT (0.43) HTTALDH1A1SMN1; SMN2ALOX5PDE3B
SCHEMBL8695084 0.75 EGFR (0.44) HTTALDH1A1SMN1; SMN2PDE3BPDE3A

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-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed