SCHEMBL2932879

SCHEMBL2932879

NC1=NC2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)CCC(F)CC2CS1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.71
KCNH2 Q12809 4/20 0.71
BACE2 Q9Y5Z0 5/20 0.69
CTSD P07339 1/20 0.58
CYP2D6 P10635 2/20 0.57

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
SCHEMBL2620280 1.00 BACE1 (0.71) BACE1KCNH2BACE2CTSDCYP2D6
SCHEMBL2620273 0.90 BACE1 (0.73) BACE1KCNH2BACE2CYP2D6
SCHEMBL2926835 0.90 BACE1 (0.73) BACE1KCNH2BACE2CYP2D6
SCHEMBL2620276 0.90 BACE1 (0.73) BACE1KCNH2BACE2CYP2D6
SCHEMBL2620096 0.89 BACE1 (0.87) BACE1KCNH2BACE2CTSDCYP2D6
SCHEMBL2929803 0.89 BACE1 (0.87) BACE1KCNH2BACE2CTSDCYP2D6
SCHEMBL2620271 0.89 BACE1 (0.70) BACE1KCNH2BACE2CTSDCYP2D6
SCHEMBL2930862 0.89 BACE1 (0.70) BACE1KCNH2BACE2CTSDCYP2D6
SCHEMBL8030166 0.89 BACE1 (0.70) BACE1KCNH2BACE2CTSDCYP2D6
SCHEMBL2930859 0.89 BACE1 (0.70) BACE1KCNH2BACE2CTSDCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed