SCHEMBL18237232

SCHEMBL18237232

O=C(Nc1nc2ccccc2s1)C(I)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
NCS1 P62166 1/20 0.56
ACP1 P24666 2/20 0.56
PTPN7 P35236 1/20 0.56
PTPN12 Q05209 1/20 0.56
PTPN13 Q12923 1/20 0.56
SSU72 Q9NP77 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
ADORA1 P30542 1/20 0.55
DYRK1A Q13627 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL26502075 0.86 CSNK1D (0.64) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6165194 0.85 CSNK1D (0.62) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9724913 0.85 CSNK1D (0.62) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9724924 0.82 CSNK1D (0.60) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4945628 0.78 CSNK1D (0.60) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL11585824 0.77 CSNK1D (1.00) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL30050826 0.77 CSNK1D (1.00) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL13949524 0.77 CSNK1D (1.00) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL30553310 0.76 NPC1 (0.74) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9036463 0.76 NPC1 (0.74) CSNK1DSMN1; SMN2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499790-B2 Method for promoting differentiation of pluripotent stem cells into cardiac muscle cells KYOTO UNIVERSITY (JP) 2016-11-22 US disclosed