SCHEMBL7972309

SCHEMBL7972309

NCCCCCCOc1ccc(F)cc1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
MAOB P27338 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL15923247 1.00 MEN1 (0.54) MEN1LMNAHTTKMT2AHRH3
SCHEMBL1010758 0.91 MAOB (0.52) MEN1LMNAHTTKMT2AHRH3
Hydrochloric Acid SCHEMBL4377848 0.89 MAOB (0.55) MEN1LMNAHTTKMT2AHRH3
SCHEMBL10338308 0.87 MEN1 (0.60) MEN1LMNAHTTKMT2AHRH3
SCHEMBL322907 0.85 TAAR1 (0.60) MAOB
SCHEMBL6265720 0.83 MEN1 (0.54) MEN1LMNAHTTKMT2AHRH3
Hydrochloric Acid SCHEMBL321866 0.83 TAAR1 (0.58) MEN1LMNAKMT2AMAOBALDH1A1
SCHEMBL8704744 0.81 TDP1 (0.52) KMT2AITGB3ITGA2BALDH1A1
SCHEMBL27972500 0.80 MAOB (0.46) MEN1LMNAHTTKMT2AMAOB
SCHEMBL9114592 0.79 CYP1A2 (0.63) MEN1LMNAHTTKMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303641-B1 FOR THERAPY AND PROPHYLAXIS OF DISEASES CHARACTERIZED BY ABNORMAL CELL DIFFERENTIATION AND/OR CELL PROLIFERATION SUCH AS PSORIASIS AND CANCER LEO PHARMACEUTICALS PRODUCTS LTD. (DK) 2001-10-16 US disclosed
EP-0984940-A1 CYANOAMIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-03-15 EP disclosed
WO-1998054147-A1 CYANOAMIDINES AS CELL PROLIFERATION INHIBITORS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-12-03 WO disclosed
US-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed