SCHEMBL4086374

SCHEMBL4086374

O=C(O)c1cc2[nH]nc(NC(=O)c3ccc(Cl)s3)c2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 10/20 0.41
RAB9A P51151 10/20 0.41
KMT2A Q03164 10/20 0.41
MEN1 O00255 9/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 2/20 0.40
DAO P14920 1/20 0.40
PRSS12 P56730 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL4089305 0.86 NPC1 (0.42) HPGDLMNANPC1RAB9AKMT2A
SCHEMBL4078670 0.83 AURKA (0.44) HPGDLMNANPC1RAB9AKMT2A
SCHEMBL4092896 0.81 HDAC6 (0.51) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4083484 0.80 SMN1; SMN2 (0.51) HPGDLMNANPC1RAB9AKMT2A
SCHEMBL4083540 0.79 FGFR1 (0.50) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL1179801 0.78 CDK7 (0.41) KDM4EMAPK1
SCHEMBL4088652 0.78 JAK2 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4078387 0.78 MAPK1 (0.48) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4088272 0.78 ALDH1A1 (0.40) LMNASMN1; SMN2ALDH1A1NPSR1MAPK1
SCHEMBL4087457 0.76 KLK7 (0.47) HPGDLMNANPC1RAB9ASMN1; SMN2

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
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 claimed
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