SCHEMBL27736728

SCHEMBL27736728

CC(C)Cc1cn(-c2ccccc2Cl)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.46
KMT2A Q03164 1/20 0.41
PTGER3 P43115 2/20 0.38
TBXA2R P21731 1/20 0.38
SCN9A Q15858 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
CYP19A1 P11511 1/20 0.37
HTR7 P34969 3/20 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
SCHEMBL11837155 0.89 KMT2A (0.54) PTGER1KMT2ASCN9AALDH1A1MAPT
SCHEMBL27736730 0.80 RORC (0.47) PTGER1PTGER3TBXA2RSCN9AALDH1A1
SCHEMBL27715919 0.79 HTR7 (0.48) PTGER1KMT2ASCN9AALDH1A1MAPT
SCHEMBL13430729 0.78 PTGER1 (0.50) PTGER1KMT2APTGER3SCN9AALDH1A1
SCHEMBL11830442 0.77 HTR7 (0.43) ALDH1A1MAPTRECQLHTR7
SCHEMBL13430734 0.76 PTGER1 (0.55) PTGER1KMT2APTGER3SCN9AHTR7
SCHEMBL11838800 0.75 GAA (0.38) ALDH1A1MAPTRECQLCYP19A1HTR7
SCHEMBL11838806 0.75 GAA (0.38) ALDH1A1MAPTRECQLCYP19A1HTR7
SCHEMBL23586493 0.74 KMT2A (0.50) PTGER1KMT2AALDH1A1MAPTRECQL
SCHEMBL31116748 0.74 RORC (0.42) KMT2ASCN9AALDH1A1MAPTHTR7

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