SCHEMBL4056504

SCHEMBL4056504

O=CNc1[c]cccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
PABPC1 P11940 1/20 0.34
MGLL Q99685 1/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
BCL2L1 Q07817 1/20 0.32
CYP2A6 P11509 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 2/20 0.32
TSHR P16473 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 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
SCHEMBL8187332 0.76 TDO2 (0.38) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL18291028 0.73 ALDH1A1 (0.37) ALDH1A1MGLLHPGDMEN1CYP2C9
SCHEMBL3997975 0.72 ADH1B (0.39) ALDH1A1MEN1CYP2C9KMT2ABCL2L1
SCHEMBL21408573 0.72 KEAP1 (0.44) ALDH1A1HPGDPTGS2
SCHEMBL19065135 0.72 BCAT2 (0.44) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL10599404 0.72 HSP90AA1 (0.46) ALDH1A1MEN1KMT2AHSD17B10HDAC2
SCHEMBL7264389 0.71 SMN1; SMN2 (0.38) ALDH1A1HPGDHSD17B10BCL2L1CYP2A6
SCHEMBL14763660 0.71 ALDH1A1 (0.48) ALDH1A1PABPC1MGLLHPGDMEN1
SCHEMBL2292418 0.71 ALDH1A1 (0.49) ALDH1A1PABPC1HPGDMEN1CYP2C9
SCHEMBL4233553 0.69 PABPC1 (0.50) ALDH1A1PABPC1MGLLHPGDMEN1

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-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed