SCHEMBL5679406

SCHEMBL5679406

Cc1cc(C(F)(F)F)cc2sc(N)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.64
SCN4A P35499 2/20 0.54
EPHX2 P34913 1/20 0.54
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 3/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41
NSD1 Q96L73 2/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.36
KCNH2 Q12809 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5683736 0.83 SCN4A (0.54) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL19627252 0.83 ALDH1A1 (0.54) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL9188387 0.82 SCN4A (0.50) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL5681260 0.81 ALDH1A1 (0.62) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL5679363 0.81 NSD1 (0.58) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL21976406 0.79 HSD17B10 (0.68) HSD17B10ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL5247755 0.78 HSD17B10 (0.72) HSD17B10SCN4AALDH1A1LMNASMN1; SMN2
SCHEMBL1913640 0.78 HSD17B10 (1.00) HSD17B10ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL9475114 0.78 HSD17B10 (0.57) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL30810235 0.77 EPHX2 (0.46) HSD17B10SCN4AEPHX2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP claimed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 WO claimed
US-4496727-A ORGANIC PIGMENTS; PLASTICS; LACQUERS; INKS; COATINGS; COLOR FASTNESS CIBA-GEIGY CORPORATION (US) 1985-01-29 US claimed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US claimed
US-4349671-A Process for the production of metal complexes of isoindoline azines CIBA-GEIGY CORPORATION (US) 1982-09-14 US claimed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 WO disclosed
US-4237292-A SHADES OF YELLOW TO RED FOR PLASTICS AND LACQUERS CIBA-GEIGY CORPORATION (US) 1980-12-02 US disclosed
US-4237293-A COLORFAST SHADES OF YELLOW TO RED FOR PLASTICS AND LACQUERS CIBA-GEIGY CORPORATION (US) 1980-12-02 US disclosed
US-4237286-A COLORING PLASTICS AND LACQUERS IN YELLOW TO RED SHADES CIBA-GEIGY CORPORATION (US) 1980-12-02 US disclosed
US-4132708-A Metal complexes of azomethines and process for their manufacture CIBA-GEIGY CORPORATION (US) 1979-01-02 US disclosed
US-4118384-A DIAZOTIZATION BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4111947-A DYES, PLASTICS, LACQUERS CIBA-GEIGY CORPORATION (US) 1978-09-05 US disclosed
US-4022770-A COLORING CIBA-GEIGY CORPORATION (US) 1977-05-10 US disclosed