SCHEMBL144077

SCHEMBL144077

CC(=O)c1ccccc1-n1cc(SSc2cn(-c3ccccc3C(C)=O)c3ccccc23)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
SRC P12931 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
CREBBP Q92793 2/20 0.40
ALDH1A1 P00352 6/20 0.40
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.38
KAT2B Q92831 1/20 0.38
RAB9A P51151 2/20 0.38
GALR3 O60755 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NR4A2 P43354 1/20 0.38
NPC1 O15118 1/20 0.37
NOD2 Q9HC29 1/20 0.37
MYC P01106 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
SCHEMBL13010121 0.89 EGFR (0.38) EGFRSRCSMN1; SMN2LMNACREBBP
SCHEMBL3405019 0.82 POLB (0.42) EGFRSRCSMN1; SMN2LMNACREBBP
SCHEMBL140825 0.82 ALDH1A1 (0.41) EGFRSRCSMN1; SMN2LMNACREBBP
SCHEMBL30013187 0.78 ALDH1A1 (0.41) EGFRSRCSMN1; SMN2LMNACREBBP
SCHEMBL18468652 0.76 KAT2B (0.41) EGFRSRCSMN1; SMN2LMNACREBBP
Iodide SCHEMBL27872828 0.72 ALDH1A1 (0.38) SMN1; SMN2LMNACREBBPALDH1A1L3MBTL1
Iodide SCHEMBL153110 0.72 ALDH1A1 (0.38) SMN1; SMN2LMNACREBBPALDH1A1L3MBTL1
SCHEMBL154462 0.72 NOTUM (0.50) LMNAALDH1A1BRD4L3MBTL1KMT2A
SCHEMBL27716107 0.72 RORC (0.52) SMN1; SMN2LMNACREBBPALDH1A1KMT2A
SCHEMBL15458754 0.70 SMN1; SMN2 (0.51) SMN1; SMN2LMNACREBBPALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2427431-A1 NOVEL INDICATOR PLATFORM Biosynth AG (CH) 2012-03-14 EP disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed
WO-2010128120-A1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2010-11-11 WO disclosed