SCHEMBL9114552

SCHEMBL9114552

N#Cc1ccc(-c2oncc2C(=O)C2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.43
CYP11B2 P19099 12/20 0.42
CYP11B1 P15538 10/20 0.42
KDM4E B2RXH2 1/20 0.41
PAX8 Q06710 1/20 0.40
DGAT1 O75907 1/20 0.36
NAAA Q02083 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FASN P49327 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
SCHEMBL9115919 0.82 RAB9A (0.44) CYP11B2CYP11B1NPC1RAB9A
SCHEMBL25778915 0.81 SLC22A12 (0.43) DHODHCYP11B2CYP11B1
SCHEMBL8108797 0.78 HCRTR1 (0.37) NPC1RAB9A
SCHEMBL8045015 0.78 HCRTR1 (0.33) NPC1RAB9A
SCHEMBL9115252 0.78 TRPV1 (0.47) DHODHCYP11B2CYP11B1NPC1RAB9A
SCHEMBL8109638 0.77 PTGS2 (0.41)
SCHEMBL8100359 0.76 HCRTR1 (0.36) KDM4ENPC1RAB9A
SCHEMBL8109508 0.76 NPC1 (0.44) CYP11B2CYP11B1NPC1RAB9A
SCHEMBL21172100 0.74 CYP11B1 (0.44) DHODHCYP11B2CYP11B1KDM4E
SCHEMBL9116523 0.73 HPGD (0.42) NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed