SCHEMBL15079641

SCHEMBL15079641

CC1(COc2ccc3c(n2)sc2nc(-c4ccc([N+](=O)[O-])cc4)cn23)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.49
F2RL3 Q96RI0 1/20 0.43
MBD2 Q9UBB5 1/20 0.41
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ADORA2A P29274 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL13394331 0.84 F2RL3 (0.55) FLT3F2RL3MBD2CA12CA1
SCHEMBL15079640 0.79 FLT3 (0.56) FLT3
SCHEMBL16219331 0.76 F2RL3 (0.46) F2RL3MBD2CA12CA1CA2
SCHEMBL15079505 0.76 F2RL3 (0.46) F2RL3MBD2CA12CA1CA2
SCHEMBL17706307 0.75 FLT3 (0.86) FLT3
SCHEMBL13394346 0.73 F2RL3 (0.40) FLT3F2RL3MAPTTP53RAB9A
SCHEMBL15079500 0.73 FLT3 (0.48) FLT3F2RL3MBD2CA12CA2
SCHEMBL13394606 0.71 F2RL3 (0.37) FLT3F2RL3MAPTTP53RAB9A
SCHEMBL15079607 0.70 F2RL3 (0.43) FLT3F2RL3MBD2CA12CA1
SCHEMBL13539252 0.69 LMNA (0.53) F2RL3MBD2MAPTTP53RAB9A

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-2013091502-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2013-06-27 WO disclosed