SCHEMBL19914616

SCHEMBL19914616

CNCCCCc1ccc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TAAR1 Q96RJ0 2/20 0.36
ATM Q13315 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL19914464 0.94 MEN1 (0.47) L3MBTL1SIGMAR1MEN1KMT2ATAAR1
SCHEMBL1928659 0.86
SCHEMBL7003873 0.83 GPR84 (0.41) GPR84HRH3
SCHEMBL23761900 0.82 HDAC3 (0.34) SIGMAR1GPR84HRH4HRH3
SCHEMBL8955030 0.81 GPR84 (0.44) HRH1GPR84HRH3
SCHEMBL22851623 0.80 HRH4 (0.55) GPR84HRH4HRH3
SCHEMBL214012 0.78 GPR84 (0.56) GPR84HRH3
SCHEMBL24245953 0.76 HRH4 (0.44) SIGMAR1HRH4HRH3
SCHEMBL16135390 0.76 GPR84 (0.59) GPR84
SCHEMBL7575666 0.76 GPR84 (0.59) GPR84

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-2018039621-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. (US) 2018-03-01 WO disclosed