SCHEMBL708157

SCHEMBL708157

Cc1cc(OCCN(C)C)ccc1N=NC=c1[nH]c(=O)c(=Cc2cnc(N3CCCCC3)s2)s1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
PIK3CA P42336 1/20 0.33
PRKDC P78527 1/20 0.33
PARP1 P09874 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
TNKS O95271 2/20 0.31
KMT2A Q03164 1/20 0.31
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
NUAK1 O60285 1/20 0.30

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
SCHEMBL703954 0.84 PIK3CA (0.32) PIK3CAPRKDCPARP1TNKSNUAK1
SCHEMBL703955 0.84 PIK3CA (0.32) PIK3CAPRKDCPARP1TNKSNUAK1
SCHEMBL705496 0.84 PIK3CA (0.37) PIK3CAPRKDCPARP1
SCHEMBL705497 0.84 PIK3CA (0.37) PIK3CAPRKDCPARP1
SCHEMBL708159 0.83 PIK3CA (0.35) PIK3CAPRKDCPARP1
SCHEMBL708156 0.83 PIK3CA (0.35) PIK3CAPRKDCPARP1
SCHEMBL655203 0.82 PARP1 (0.34) PARP1ALDH1A1
SCHEMBL702258 0.79 SETD1B (0.33)
SCHEMBL702257 0.79 SETD1B (0.33)
SCHEMBL708508 0.79 UTS2R (0.32) PIK3CAPRKDC

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
EP-2423204-A1 THIAZOLIDINONE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2012-02-29 EP disclosed