SCHEMBL9533425

SCHEMBL9533425

CSC(=NCC(F)(F)F)NC#N

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9533419 1.00 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9535919 0.75
SCHEMBL9535922 0.75
SCHEMBL5853961 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL5853965 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL11304946 0.73 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2
SCHEMBL11304948 0.73 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2
SCHEMBL10718860 0.72 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL10718854 0.72 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL11219198 0.72 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377528-B1 Piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA (FR) 1993-12-08 EP disclosed
US-5001134-A Piperidines, processes of preparation and medications containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1991-03-19 US disclosed
EP-0377528-A1 Piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-07-11 EP disclosed
US-4440775-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-04-03 US disclosed
US-4347250-A ANTIHISTAMINES; ANTISECRETORY, CARDIOTONIC, AND ANTI-INFLAMMATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-08-31 US disclosed
US-4333946-A ANTIINFLAMMATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-06-08 US disclosed
US-4276301-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-06-30 US disclosed
US-4247558-A HISTAMINE ANTAGONIST SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-01-27 US disclosed
US-4192879-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-03-11 US disclosed
US-4166856-A Thiazole and isothiazole derivative as blockers of histamine H2 -receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-09-04 US disclosed
US-4098898-A N-SUBSTITUTED-N'-HETEROCYCLIC ALKYLTHIOUREAS, GUANIDINES, AND ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-07-04 US disclosed