SCHEMBL8696774

SCHEMBL8696774

CCCCn1ncc(C(=O)OCC)c1Cc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
AGTR1 P30556 1/20 0.46
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE5A O76074 1/20 0.39
PDE4B Q07343 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8879237 0.79 AGTR1 (0.39) NPC1LMNAAGTR1KMT2ASMN1; SMN2
SCHEMBL4719726 0.78 LMNA (0.43) NPC1LMNAKMT2ASMN1; SMN2RAB9A
SCHEMBL8697260 0.77 PDE3B (0.50) NPC1LMNAPDE3BPDE3AKMT2A
SCHEMBL8692878 0.77 HTT (0.43) LMNAPDE3BPDE3ASMN1; SMN2HTT
SCHEMBL9041592 0.77 AGTR1 (0.81) AGTR1
SCHEMBL8693592 0.76 HTT (0.42) SMN1; SMN2HTTALDH1A1
SCHEMBL8694309 0.75 PDE3B (0.45) NPC1LMNAPDE3BPDE3AKMT2A
SCHEMBL8695782 0.75 HTT (0.40) LMNAPDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL8695084 0.75 EGFR (0.44) NPC1LMNAPDE3BPDE3ASMN1; SMN2
SCHEMBL4721483 0.74 LMNA (0.49) NPC1LMNAKMT2ASMN1; SMN2RAB9A

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 3 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
US-5750562-A ANTITUMOR AGENTS; WATER SOLUBLE; SIDE EFFECT REDUCTION INDENA S.P.A. (IT) 1998-05-12 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed