SCHEMBL255650

SCHEMBL255650

CCOc1ccc(I)c(C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.54
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
BPTF Q12830 1/20 0.43
MAPK8 P45983 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
NQO1 P15559 1/20 0.42
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLAU P00749 1/20 0.41

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
SCHEMBL166348 0.87 KMT2A (0.45) PARP10MEN1KMT2AADRA2AMAPT
SCHEMBL28045267 0.81 KDM4E (0.57) PARP10KDM4EALDH1A1MEN1PKM
SCHEMBL27249089 0.81 PARP10 (0.56) PARP10KDM4EALDH1A1MEN1PKM
SCHEMBL29047414 0.81 KDM4E (0.50) PARP10KDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL16962824 0.81 KDM4E (0.47) PARP10KDM4EALDH1A1MEN1KMT2A
SCHEMBL1785633 0.80 PARP10 (0.54) PARP10KDM4EALDH1A1MEN1PKM
SCHEMBL6838380 0.79 KDM4E (0.68) PARP10KDM4EALDH1A1MEN1PKM
SCHEMBL5952448 0.78 PARP10 (0.56) PARP10KDM4EALDH1A1MEN1PKM
SCHEMBL10407907 0.78 PLAU (0.58) PARP10KDM4EALDH1A1MEN1PKM
SCHEMBL16956617 0.77 KDM4E (0.44) PARP10KDM4EALDH1A1MEN1KMT2A

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
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed