SCHEMBL13513636

SCHEMBL13513636

CNc1nc(-c2ccc(F)c(F)c2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.64
NPC1 O15118 5/20 0.64
AR P10275 1/20 0.63
MEN1 O00255 10/20 0.54
KMT2A Q03164 10/20 0.54
PSMD14 O00487 1/20 0.54
MAPT P10636 3/20 0.52
ABL1 P00519 2/20 0.52
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP3 P42574 1/20 0.50
ATM Q13315 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL12840718 0.88 RAB9A (0.64) RAB9ANPC1ARMEN1KMT2A
SCHEMBL21005885 0.84 MPL (0.66) RAB9ANPC1ARMEN1KMT2A
SCHEMBL8172023 0.81 RAB9A (0.70) RAB9ANPC1ARMEN1KMT2A
SCHEMBL16254980 0.81 ABL1 (0.79) RAB9ANPC1MEN1KMT2APSMD14
SCHEMBL12881839 0.79 MAPT (0.62) RAB9ANPC1ARMEN1KMT2A
SCHEMBL1764691 0.78 ALDH1A1 (0.60) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8171460 0.78 MAPT (0.74) RAB9ANPC1ARMEN1KMT2A
SCHEMBL14048212 0.78 NPC1 (1.00) RAB9ANPC1ARMEN1KMT2A
SCHEMBL23742674 0.78 MEN1 (0.57) RAB9ANPC1MEN1KMT2APSMD14
SCHEMBL7109635 0.78 ALOX5 (0.74) MEN1KMT2AMAPTMAPK1

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