SCHEMBL9154485

SCHEMBL9154485

NCC(=CCl)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
HDAC3 O15379 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL9154475 1.00 HDAC1 (0.57) HDAC1HDAC2MAOAMAOBHDAC3
SCHEMBL10723135 1.00 HDAC1 (0.57) HDAC1HDAC2MAOAMAOBHDAC3
Hydrochloric Acid SCHEMBL3981565 0.98 HDAC1 (0.55) HDAC1HDAC2MAOAMAOB
Hydrochloric Acid SCHEMBL3981568 0.98 HDAC1 (0.55) HDAC1HDAC2MAOAMAOB
SCHEMBL8574266 0.79 HDAC1 (0.59) HDAC1HDAC2MAOAMAOB
SCHEMBL11207094 0.79 HDAC1 (0.55) HDAC1HDAC2MAOAMAOBHDAC3
SCHEMBL16787362 0.77 ATM (0.45) HDAC1HDAC2MAOAMAOBHDAC3
SCHEMBL2291836 0.77 ATM (0.45) HDAC1HDAC2MAOAMAOBHDAC3
SCHEMBL9154294 0.77 MAOA (0.62) HDAC1HDAC2MAOAMAOB
SCHEMBL10722518 0.77 HDAC1 (0.57) HDAC1HDAC2MAOAMAOBHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080199933-A1 Amine Oxidase Inhibitors SAYRE LAWRENCE M 2008-08-21 US disclosed
EP-0330218-B1 Inhibitors of lysyl oxidase MERRELL DOW PHARMA (US) 1995-01-25 EP disclosed
US-5252608-A Preventing the abnormal deposition of collagen by administering a halogenated allyl amines MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-12 US disclosed
US-5182297-A Thienylhaloallylamines MERRELL DOW PHARMACEUTICALS INC. (US) 1993-01-26 US disclosed
US-5021456-A Administering to treat dieseases of abnormal deposition of collagen MERRELL DOW PHARMACEUTICALS INC. (US) 1991-06-04 US disclosed
US-4965288-A ABNORMAL COLLAGEN DEPOSITION MERRELL DOW PHARMACEUTICALS INC. (US) 1990-10-23 US disclosed
US-4943593-A Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-24 US disclosed
CN-1035497-A The inhibitor of lysyloxidase MERRELL DOW PHARMA (US) 1989-09-13 CN disclosed
EP-0330218-A2 Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-30 EP disclosed
EP-0067105-B1 ALLYL AMINE MAO INHIBITORS MERRELL DOW FRANCE ET CIE (FR) 1987-09-23 EP disclosed
US-4454158-A Allyl amine MAO inhibitors MERRELL TORAUDE ET COMPAGNIE (FR) 1984-06-12 US disclosed
EP-0067105-A2 Allyl amine MAO inhibitors MERRELL DOW FRANCE ET CIE (FR) 1982-12-15 EP disclosed