SCHEMBL10012459

SCHEMBL10012459

Cc1cccc(-c2nnc(S)n2-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
AVPR1A P37288 1/20 0.50
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.44
OPRD1 P41143 1/20 0.43
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL13703807 0.92 AVPR1A (0.49) MAPK1AVPR1AALDH1A1L3MBTL1TSHR
SCHEMBL10013069 0.90 L3MBTL1 (0.53) MAPK1AVPR1AALDH1A1L3MBTL1TSHR
SCHEMBL12571935 0.86 AVPR1A (0.61) MAPK1AVPR1AALDH1A1L3MBTL1TSHR
SCHEMBL1104395 0.86 AVPR1A (0.59) MAPK1AVPR1AALDH1A1TSHRSMN1; SMN2
SCHEMBL25240618 0.84 MAOA (0.46) MAPK1AVPR1AALDH1A1L3MBTL1TSHR
SCHEMBL1104410 0.84 MDM2 (0.46) MAPK1AVPR1AALDH1A1TSHRNPC1
SCHEMBL14132456 0.84 RXFP1 (0.55) MAPK1AVPR1AALDH1A1L3MBTL1TSHR
SCHEMBL29743301 0.84 MAOA (0.46) MAPK1AVPR1AALDH1A1L3MBTL1TSHR
SCHEMBL29713827 0.84 OPRD1 (0.53) MAPK1AVPR1AALDH1A1TSHRHPGD
SCHEMBL1104404 0.83 AVPR1A (0.57) AVPR1AALDH1A1TSHRSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8753895-B2 Surface modified metal nano-particle and use thereof Postech Academy-Industries Foundation (KR) 2014-06-17 US disclosed
US-20130252274-A1 Surface Modified Metal Nano-Particle and Use Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2013-09-26 US disclosed
US-20120168681-A1 Surface Modified Metal Nano-Particle and Use Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2012-07-05 US disclosed