SCHEMBL4081200

SCHEMBL4081200

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1csnn1)nn2C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TP53 P04637 5/20 0.45
LMNA P02545 3/20 0.37
THRB P10828 2/20 0.36
ALDH1A1 P00352 4/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
MAOB P27338 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ELANE P08246 2/20 0.32

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
SCHEMBL4078532 0.88 RAB9A (0.39) MAPTTP53LMNATHRBALDH1A1
SCHEMBL4083915 0.86 MAP3K5 (0.37) MAPTTP53ALDH1A1L3MBTL1KMT2A
SCHEMBL4088615 0.86 KMT2A (0.45) MAPTTP53LMNAALDH1A1KMT2A
SCHEMBL4078418 0.85 HTT (0.43) MAPTLMNAALDH1A1KMT2AMAOB
SCHEMBL4091948 0.84 NPC1 (0.32) MAPTLMNAALDH1A1L3MBTL1MAOB
SCHEMBL4093454 0.84 JMJD6 (0.38) MAPTTP53LMNAALDH1A1L3MBTL1
SCHEMBL4087183 0.83 RAB9A (0.45) MAPTTP53LMNAALDH1A1ATM
SCHEMBL4088637 0.83 ALDH1A1 (0.43) MAPTTP53LMNAALDH1A1KMT2A
SCHEMBL4083862 0.83 TAS1R3 (0.38) MAPTTP53THRBALDH1A1L3MBTL1
SCHEMBL4084026 0.83 MAPT (0.42) MAPTLMNAALDH1A1KMT2APOLB

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-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed