SCHEMBL899463

SCHEMBL899463

O=[N+]([O-])c1cccc(-c2cn(Cc3ccccc3)/c(=N\c3ccccc3)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
PGR P06401 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 4/20 0.42
CFTR P13569 5/20 0.42
ACKR3 P25106 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL899464 1.00 LMNA (0.43) LMNAPGRALDH1A1KDM4EGAA
SCHEMBL899540 0.90 AR (0.42) LMNAALDH1A1KMT2ACFTRCA2
SCHEMBL899539 0.90 AR (0.42) LMNAALDH1A1KMT2ACFTRCA2
SCHEMBL899436 0.85 PDE4D (0.39) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL899437 0.85 PDE4D (0.39) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL899582 0.77 SMN1; SMN2 (0.42) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL899584 0.77 SMN1; SMN2 (0.42) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL898781 0.76 ROCK2 (0.41) LMNASMN1; SMN2POLBMAPK1RAB9A
SCHEMBL899307 0.74 MAPT (0.46) LMNAALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL899306 0.74 MAPT (0.46) LMNAALDH1A1HPGDSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed