SCHEMBL9385804

SCHEMBL9385804

FC(F)(F)C(F)(F)c1nc(Cl)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 5/20 0.56
CCNE1 P24864 5/20 0.56
CDK2 P24941 5/20 0.56
ELANE P08246 2/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
METAP1 P53582 1/20 0.42
RAB9A P51151 1/20 0.41
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TLR7 Q9NYK1 4/20 0.40
ADORA2A P29274 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3119156 0.85 GAA (0.57) CCNE2CCNE1CDK2GAAALDH1A1
SCHEMBL29416441 0.85 GAA (0.57) CCNE2CCNE1CDK2GAAALDH1A1
SCHEMBL6683074 0.79 CCNB2 (0.56) CCNE2CCNE1CDK2MAOAMAOB
SCHEMBL11803331 0.79 MAOA (0.41) CCNE2CCNE1CDK2MAOAMAOB
SCHEMBL12070723 0.78 MAOA (0.47) CCNE2CCNE1CDK2ELANEMAOA
SCHEMBL164157 0.76 CCNE2 (0.41) CCNE2CCNE1CDK2MAOAMAOB
SCHEMBL9221476 0.73 ALDH1A1 (0.83) CCNE2CCNE1CDK2GAAALDH1A1
SCHEMBL162466 0.71 METAP1 (0.38) CCNE2CCNE1CDK2MAOAMAOB
SCHEMBL24846161 0.70 SMN1; SMN2 (0.51) CCNE2CCNE1CDK2ALDH1A1MAPT
SCHEMBL29389300 0.70 MAOA (0.56) MAOAMAOBGAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612317-A1 SUBSTITUTED HETEROCYCLES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-31 EP disclosed
US-5256781-A Anticholesterol, antilipemic, hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 US disclosed
US-5236925-A Hypotensive agents, treatment of congestive heart failure AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-17 US disclosed
WO-1993008170-A1 SUBSTITUTED HETEROCYCLES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO disclosed
US-5187168-A Hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-16 US disclosed