SCHEMBL13513656

SCHEMBL13513656

CNc1nc(-c2csc3ccccc23)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
KDM4E B2RXH2 1/20 0.59
THRB P10828 1/20 0.59
TSHR P16473 1/20 0.50
AR P10275 1/20 0.50
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
C1S P09871 1/20 0.44
KDM1A O60341 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CCR4 P51679 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL14048213 0.79 MAPT (0.61) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL19626670 0.79 C1S (0.46) MAPTALDH1A1KDM4ETSHRC1S
SCHEMBL13513657 0.78 KMT2A (0.59) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL2762871 0.77 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL19679620 0.76 KMT2A (0.56) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL19625513 0.75 C1S (0.44) MAPTALDH1A1C1SKDM1ACYP11B1
SCHEMBL1916379 0.74 NPC1 (0.58) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL1915608 0.74 AR (0.56) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL1914839 0.74 HSD17B10 (0.60) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL11499089 0.74 MEN1 (0.55) MAPTMEN1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575502-B1 COMPOSITIONS AND METHODS INVOLVING NUCLEAR HORMONE RECEPTOR SITE II BRISTOL MYERS SQUIBB CO (US) 2010-01-20 EP disclosed
US-7442554-B2 Compositions and methods involving glucocorticoid receptor site II BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-28 US disclosed