SCHEMBL8690228

SCHEMBL8690228

CCCn1nc(Cc2ccc(Br)cc2)c(C(=O)OCC)c1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
ALOX5 P09917 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
APAF1 O14727 1/20 0.37
SMAD3 P84022 1/20 0.37
CYP19A1 P11511 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL8689877 0.94 HTT (0.40) ALDH1A1SMN1; SMN2HTTLMNAGLA
SCHEMBL8691413 0.84 AKR1B1 (0.41) ALDH1A1SMN1; SMN2HTTALOX5APAF1
SCHEMBL8691277 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTLMNAGLA
SCHEMBL8693020 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTLMNAGLA
SCHEMBL8690433 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTLMNAGLA
SCHEMBL8690657 0.80 HTT (0.44) ALDH1A1SMN1; SMN2HTTLMNAGLA
SCHEMBL8695782 0.77 HTT (0.40) ALDH1A1SMN1; SMN2HTTLMNAGLA
SCHEMBL8693539 0.77 FPR1 (0.37) ALDH1A1SMN1; SMN2LMNAGLAL3MBTL1
SCHEMBL8691319 0.75 CYP19A1 (0.47) ALDH1A1SMN1; SMN2HTTLMNAGLA
SCHEMBL8693592 0.74 HTT (0.42) ALDH1A1SMN1; SMN2HTTALOX5APAF1

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