SCHEMBL27715919

SCHEMBL27715919

CC(C)Cc1cn(-c2ccccc2C#N)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.48
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 3/20 0.44
PTGER1 P34995 1/20 0.44
IMPDH2 P12268 1/20 0.41
SCN9A Q15858 6/20 0.41
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX5AP P20292 1/20 0.39
HTR3A P46098 1/20 0.39
XIAP P98170 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL27736728 0.79 PTGER1 (0.46) HTR7ALDH1A1MAPTPTGER1SCN9A
SCHEMBL17170720 0.76 TSHR (0.67) HTR7ALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL13430729 0.75 PTGER1 (0.50) HTR7ALDH1A1MAPTPTGER1SCN9A
SCHEMBL9429028 0.74 HTR7 (0.47) HTR7ALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL9343076 0.74 XIAP (0.44) HTR7ALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL2659054 0.74 GABRA1 (0.47) ALDH1A1SMN1; SMN2MAPTTSHRALOX5AP
SCHEMBL13430734 0.73 PTGER1 (0.55) HTR7PTGER1SCN9AKMT2A
SCHEMBL17176324 0.71 ALDH1A1 (0.63) HTR7ALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL4697569 0.70 ALDH1A1 (0.52) HTR7ALDH1A1SMN1; SMN2MAPTIMPDH2
SCHEMBL5018864 0.70 GPR84 (0.67) ALDH1A1SMN1; SMN2MAPTTSHR

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
CN-101268048-A Carbazole derivatives SERENEX INC (US) 2008-09-17 CN disclosed