SCHEMBL16840342

SCHEMBL16840342

Cc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HRH4 Q9H3N8 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
QPCT Q16769 1/20 0.33
TP53 P04637 1/20 0.33

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
Clobenpropit SCHEMBL8312286 0.88 HRH4 (0.40) HRH4HRH3MAPTKMT2ATP53
Clobenpropit SCHEMBL15130115 0.87 HRH4 (0.42) HRH4HRH3MAPTKMT2ATP53
Clobenprobit SCHEMBL29613706 0.85 HRH4 (0.38) HRH4HRH3MAPTKMT2AQPCT
SCHEMBL8624151 0.80 NOS1 (0.39) L3MBTL1MAPTKMT2AHPGD
Iodophenpropit SCHEMBL13039517 0.79 HRH4 (0.35) HRH4HRH3KMT2ATP53
Iodophenpropit SCHEMBL30938563 0.78 HRH4 (0.36) HRH4HRH3KMT2ATP53
SCHEMBL8619610 0.76 ALDH1A1 (0.41) SMN1; SMN2MAPTKMT2AHPGD
SCHEMBL9866034 0.76 ALDH1A1 (0.45) SMN1; SMN2MAPTKMT2AHPGD
SCHEMBL10740166 0.74 HRH1 (0.39) L3MBTL1HRH3KMT2A
SCHEMBL9867195 0.72 HPGD (0.39) L3MBTL1MAPTKMT2AHPGD

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-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 US disclosed
US-20150176010-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2015-06-25 US disclosed