SCHEMBL8696229

SCHEMBL8696229

CCCn1nc(CC)c(C(=O)OC)c1Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL8690276 0.93 TP53 (0.35) TP53MAPT
SCHEMBL8692841 0.91 HRH1 (0.36) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8695154 0.87 FPR1 (0.41)
SCHEMBL8693926 0.84 HRH1 (0.35)
SCHEMBL8694977 0.84 NPC1 (0.34) NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL8693539 0.82 FPR1 (0.37) NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL8694551 0.81 FPR1 (0.40)
SCHEMBL8693020 0.80 ALDH1A1 (0.47) MAPTSMN1; SMN2
SCHEMBL8691277 0.80 ALDH1A1 (0.47) MAPTSMN1; SMN2
SCHEMBL8691408 0.77 FPR1 (0.42) MAPT

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