SCHEMBL7941017

SCHEMBL7941017

CCOC(=O)C1CCN(C2=NC(c3cc(C)ccc3OCc3ccc(Br)cc3C)CS2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CCR5 P51681 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.37
LGMN Q99538 1/20 0.37
NPC1 O15118 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
MDM2 Q00987 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7934714 0.87 MAPT (0.36) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL7939410 0.84 ALDH1A1 (0.38) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL7944340 0.82 MAPT (0.36) MEN1KMT2ACCR5MAPTALDH1A1
SCHEMBL7940148 0.81 CD274 (0.35) CCR5TSHRKDM4ESMN1; SMN2HPGD
SCHEMBL3233357 0.77 MEN1 (0.47) MAPK1MEN1KMT2ACCR5
SCHEMBL3626707 0.76 MEN1 (0.48) MAPK1MEN1KMT2ACCR5MAPT
SCHEMBL15153415 0.74 GUCY1B2 (0.49)
SCHEMBL7941720 0.71 HTT (0.52) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL7940020 0.71 ALDH1A1 (0.38) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL3995161 0.70 CCR5 (0.51) MAPK1MEN1KMT2ACCR5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed