SCHEMBL15534129

SCHEMBL15534129

CC(=O)Nc1cnc2cc(Br)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
RUNX1 Q01196 1/20 0.51
KMT2A Q03164 1/20 0.51
CBFB Q13951 1/20 0.51
DYRK1A Q13627 2/20 0.50
KDR P35968 7/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MALT1 Q9UDY8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL20292801 0.88 MALT1 (0.58) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL20741514 0.82 KDM4E (0.64) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL4541208 0.80 ABL1 (0.60) RAB9AMAPTMEN1KMT2AKDR
SCHEMBL879571 0.80 KDM4E (0.70) RAB9ANPC1KDM4EMAPTKDR
SCHEMBL23892289 0.79 CYP1A2 (0.46) KDM4EMEN1KMT2AKDRCYP1A2
SCHEMBL12298751 0.77 MEN1 (0.56) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL7601178 0.76 HPGDS (0.47) DYRK1AKDRCYP1A2CYP2C19ALDH1A1
SCHEMBL4538786 0.76 ALPL (0.51) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL6433457 0.76 NPC1 (0.53) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL16755312 0.76 DYRK1A (0.50) RAB9ANPC1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847192-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 EP claimed
WO-2013170112-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO claimed
EP-2847192-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 EP disclosed
WO-2014008223-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-09 WO disclosed
WO-2013177253-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-28 WO disclosed
WO-2013170112-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed