SCHEMBL4088680

SCHEMBL4088680

O=C(Nc1n[nH]c2cc(C(=O)O)oc12)c1csnn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
THRB P10828 2/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 9/20 0.40
TP53 P04637 5/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4078387 0.83 MAPK1 (0.48) L3MBTL1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL4083114 0.83 AURKA (0.41) ALDH1A1ATML3MBTL1THRBLMNA
SCHEMBL4082112 0.81 KDM4E (0.40)
SCHEMBL4083540 0.80 FGFR1 (0.50) RAB9AMEN1KMT2ANPC1
SCHEMBL4088564 0.79 MAPT (0.48) ALDH1A1LMNAMAPTTP53RAB9A
SCHEMBL4092896 0.77 HDAC6 (0.51) MAPTTP53RAB9AMEN1KMT2A
SCHEMBL4086303 0.77 MAPK1 (0.49) ALDH1A1ATML3MBTL1MAPTTP53
SCHEMBL4088652 0.77 JAK2 (0.49) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL4088272 0.76 ALDH1A1 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4078664 0.76 HPGD (0.44) RAB9AHPGDNPC1

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