SCHEMBL8690895

SCHEMBL8690895

CCCn1nc(C2CC2)c(C(=O)OCC)c1Cc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL8696610 0.92 HTT (0.44) HTTALDH1A1L3MBTL1PDE3BPDE3A
SCHEMBL8690433 0.81 ALDH1A1 (0.40) HTTALDH1A1SMN1; SMN2L3MBTL1PDE3B
SCHEMBL8690657 0.81 HTT (0.44) HTTALDH1A1SMN1; SMN2L3MBTL1PDE3B
SCHEMBL8693020 0.80 ALDH1A1 (0.47) HTTALDH1A1SMN1; SMN2L3MBTL1PDE3B
SCHEMBL8691277 0.80 ALDH1A1 (0.47) HTTALDH1A1SMN1; SMN2L3MBTL1PDE3B
SCHEMBL8692878 0.76 HTT (0.43) HTTALDH1A1SMN1; SMN2L3MBTL1PDE3B
SCHEMBL8693592 0.75 HTT (0.42) HTTALDH1A1SMN1; SMN2ALOX5
SCHEMBL8690658 0.74 HTT (0.41) HTTALDH1A1SMN1; SMN2L3MBTL1PDE3B
SCHEMBL8695084 0.73 EGFR (0.44) HTTALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL8696229 0.73 TP53 (0.36) SMN1; SMN2MAPT

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