SCHEMBL27736730

SCHEMBL27736730

CC(C)Cc1cn(-c2ccc(C(N)=O)cc2Cl)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.47
PTGER1 P34995 9/20 0.47
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
SCN9A Q15858 2/20 0.43
PTGER3 P43115 3/20 0.41
ALOX5AP P20292 1/20 0.41
TBXA2R P21731 2/20 0.41
PTGS2 P35354 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
OPRK1 P41145 1/20 0.38

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
SCHEMBL4793896 0.83 RORC (0.56) RORCPTGER1ALDH1A1CYP3A4CYP2C9
SCHEMBL4772011 0.81 RORC (0.49) RORCALDH1A1CYP3A4CYP2C9
SCHEMBL27736728 0.80 PTGER1 (0.46) PTGER1ALDH1A1MAPTRECQLSCN9A
SCHEMBL27715915 0.80 RORC (0.46) RORCRECQLSCN9ACYP3A4CYP2C9
SCHEMBL4792570 0.79 RORC (0.60) RORCCYP3A4CYP2C9
SCHEMBL4768485 0.75 RORC (0.55) RORCALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL4768479 0.75 RORC (0.55) RORCALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL25016679 0.74 OPRK1 (0.51) ALOX5APOPRK1
SCHEMBL11837155 0.73 KMT2A (0.54) PTGER1ALDH1A1MAPTRECQLSCN9A
SCHEMBL13430729 0.72 PTGER1 (0.50) RORCPTGER1ALDH1A1MAPTRECQL

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