SCHEMBL9140727

SCHEMBL9140727

COc1ccc2c(c1)N(c1ccc(F)cc1)C(=O)C2(C)N

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HSD11B1 P28845 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ APAF1 O14727 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ PGR P06401 2/20 0.40
▸ ELANE P08246 1/20 0.40
▸ NR3C2 P08235 1/20 0.39
▸ PTH1R Q03431 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL7506984 0.90 ALOX15 (0.47) KDM4EALOX15MAPTHSD11B1MEN1
SCHEMBL7511926 0.90 ALOX15 (0.47) KDM4EALOX15MAPTHSD11B1MEN1
SCHEMBL7506974 0.90 ALOX15 (0.47) KDM4EALOX15MAPTHSD11B1MEN1
SCHEMBL9137880 0.81 GLP1R (0.46) KDM4EALOX15MAPTHSD11B1MEN1
SCHEMBL8613159 0.79 KDM4E (0.40) KDM4EALOX15MAPTHSD11B1MEN1
SCHEMBL7503921 0.79 KDM4E (0.39) KDM4EALOX15MAPTHSD11B1MEN1
SCHEMBL9139749 0.77 ELANE (0.46) KDM4EALOX15MAPTHSD11B1MEN1
SCHEMBL9139185 0.77 KDM4E (0.45) KDM4EALOX15MAPTHSD11B1MEN1
SCHEMBL9138286 0.76 ALDH1A1 (0.50) KDM4EALOX15MAPTHSD11B1MEN1
SCHEMBL9145406 0.73 KDM4E (0.42) KDM4EALOX15MAPTHSD11B1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434148-A β-carboline derivative TANABE SEIYAKU CO., LTD. (JP) 1995-07-18 — — US disclosed
EP-0572235-A2 Beta-carboline derivatives with anticholecystoquinine activity TANABE SEIYAKU CO., LTD. (JP) 1993-12-01 — — EP disclosed
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