SCHEMBL486254

SCHEMBL486254

Cc1nc(C)c(OC(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CNR1 P21554 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9385618 0.85 MAPT (0.36) RAB9ARECQLALDH1A1TSHRNPC1
SCHEMBL6605939 0.83 CNR1 (0.34) RAB9ARECQLALDH1A1HPGDTSHR
SCHEMBL5237956 0.81 RAB9A (0.33) RAB9ARECQLALDH1A1HPGDTSHR
SCHEMBL8964648 0.79 PTGDR2 (0.37) RAB9ARECQLALDH1A1HPGDTSHR
SCHEMBL10360798 0.79 ALDH1A1 (0.33) ALDH1A1HPGDTSHR
SCHEMBL11286087 0.79 ALDH1A1 (0.46) RAB9AALDH1A1HPGDTSHRNPC1
SCHEMBL3252712 0.78 LMNA (0.38) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL2428792 0.75 MAPT (0.47) RAB9AALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL2566875 0.75 KMT2A (0.32) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL9850884 0.74 SMN1; SMN2 (0.36) ALDH1A1HPGDTSHRSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP claimed
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP disclosed
EP-2411363-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS Bayer Pharma AG (DE) 2012-02-01 EP disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 WO disclosed
EP-0199675-A1 Heterocyclic penem compounds CIBA-GEIGY AG (CH) 1986-10-29 EP disclosed