SCHEMBL4599754

SCHEMBL4599754

c1csc(C2CCCCCN2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNA7 P36544 2/20 0.45
CHRNA4 P43681 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CHRM5 P08912 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LTA4H P09960 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
SCHEMBL7008410 0.98 MEN1 (0.46) MEN1KMT2ACYP2D6CYP2C19CHRNB2
SCHEMBL166764 0.92 CHRM5 (0.46) MEN1KMT2ACYP2D6CYP2C19CHRNB2
SCHEMBL20292058 0.92 CHRM5 (0.46) MEN1KMT2ACYP2D6CYP2C19CHRNB2
SCHEMBL6179170 0.92 CHRM5 (0.46) MEN1KMT2ACYP2D6CYP2C19CHRNB2
SCHEMBL930295 0.76 MAPT (0.46) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL663162 0.76 MAPT (0.46) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL9786152 0.76 ALDH1A1 (0.37) MEN1KMT2APOLBSMN1; SMN2TSHR
SCHEMBL5802520 0.76 ALDH1A1 (0.37) MEN1KMT2APOLBSMN1; SMN2TSHR
SCHEMBL8204301 0.74 ALDH1A1 (0.36) MEN1KMT2APOLBSMN1; SMN2TSHR
SCHEMBL7122480 0.74 MAPT (0.44) MEN1KMT2ACYP2D6CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228484-A1 POLYMER, PROCESS AND USE DSM IP ASSET B.V. (NL) 2014-08-14 US disclosed
EP-2723799-A1 POLYMER, PROCESS AND USE DSM IP Assets B.V. (NL) 2014-04-30 EP disclosed
WO-2012175622-A1 POLYMER, PROCESS AND USE DSM IP ASSETS B.V. (NL) 2012-12-27 WO disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed