SCHEMBL15433747

SCHEMBL15433747

COc1ccc2c(S(C)(=O)=O)cc(-c3cnoc3)nc2c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SYK P43405 3/20 0.33
ALPL P05186 2/20 0.32
RAB9A P51151 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NR1H2 P55055 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL15428935 0.85 JAK2 (0.31)
SCHEMBL18900876 0.82 PLAU (0.40) CYP19A1CYP11B1CYP11B2SMN1; SMN2NPC1
SCHEMBL15433735 0.80 BRD4 (0.43) ALPL
SCHEMBL15433731 0.71 BRD4 (0.42) CYP19A1CYP11B1CYP11B2SMN1; SMN2NPC1
SCHEMBL288425 0.71 SYK (0.35) CYP19A1CYP11B1CYP11B2SMN1; SMN2LMNA
SCHEMBL10046380 0.68 NPC1 (0.34) NPC1RAB9ALRRK2
SCHEMBL13074830 0.67 HTR6 (0.39) CYP19A1CYP11B1CYP11B2SMN1; SMN2KMT2A
SCHEMBL7900338 0.66 HTR6 (0.38) CYP19A1CYP11B1CYP11B2SMN1; SMN2KMT2A
SCHEMBL7909715 0.65 HTR6 (0.39) CYP19A1CYP11B1CYP11B2SMN1; SMN2NPC1
SCHEMBL288637 0.65 F2 (0.40) CYP19A1CYP11B1CYP11B2NPC1KMT2A

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
EP-2427434-B1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INT (DE) 2017-05-31 EP disclosed
US-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed