SCHEMBL17875134

SCHEMBL17875134

CC1CC(=N)c2cc(Br)ccc2S1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.33
KLK7 P49862 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL8110022 0.80 KDM4E (0.54) PBRM1KDM4EALDH1A1NPC1NPSR1
SCHEMBL13799423 0.72 PNMT (0.43) KDM4EALDH1A1HPGDKLK7ADRA2A
SCHEMBL8129204 0.71 KDM4E (0.41) PBRM1KDM4EALDH1A1HPGDKLK7
SCHEMBL6124038 0.69 KDM4E (0.37) PBRM1KDM4EALDH1A1NPC1NPSR1
SCHEMBL11931829 0.67 S100A4 (0.41) PBRM1MEN1KMT2AHDAC8
SCHEMBL7418018 0.66 PNMT (0.38) ADRA2APNMTADRA2BADRA2C
SCHEMBL8102094 0.64 HTR2A (0.35) ALDH1A1ADRA2APNMTADRA2BADRA2C
SCHEMBL9187689 0.63 KDM1A (0.38) ADRA2APNMTADRA2BADRA2C
SCHEMBL9367610 0.62 HTR2A (0.39) ADRA2APNMTADRA2BADRA2C
SCHEMBL1825525 0.61 SMN1; SMN2 (0.44) PBRM1ALDH1A1

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
EP-3037880-A1 LAMINATE BODY Fujifilm Corporation (JP) 2016-06-29 EP disclosed