SCHEMBL9138241

SCHEMBL9138241

COc1ccc2c(c1)N(c1cccc(Cl)c1)C(=O)C2(C)N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PGR P06401 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ RELA Q04206 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9140727 0.80 KDM4E (0.45) MEN1KMT2AALDH1A1MAPTPGR
SCHEMBL9138286 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTPGR
SCHEMBL9137880 0.77 GLP1R (0.46) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL9565146 0.72 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL7507129 0.72 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL7506984 0.70 ALOX15 (0.47) MEN1KMT2AALDH1A1MAPTPGR
SCHEMBL7511926 0.70 ALOX15 (0.47) MEN1KMT2AALDH1A1MAPTPGR
SCHEMBL7506974 0.70 ALOX15 (0.47) MEN1KMT2AALDH1A1MAPTPGR
SCHEMBL27478508 0.68 PGR (0.70) MEN1KMT2AMAPTPGRMGLL
SCHEMBL9140974 0.67 ALDH1A1 (0.50) ALDH1A1MAPK1PGR

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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