SCHEMBL6101239

SCHEMBL6101239

O=C(c1ccc(-c2ccc[c]n2)cc1)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 1/20 0.55
TSHR P16473 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PKM P14618 1/20 0.50
PARP1 P09874 1/20 0.47
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.47
SLC6A7 Q99884 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44

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
SCHEMBL27479149 0.74 HPGD (1.00) HPGDALDH1A1MAPK1TSHRLMNA
SCHEMBL7132525 0.74 HPGD (1.00) HPGDALDH1A1MAPK1TSHRLMNA
SCHEMBL3454812 0.74 HPGD (0.96) HPGDALDH1A1MAPK1TSHRNPC1
SCHEMBL3456729 0.74 HPGD (0.96) HPGDALDH1A1MAPK1TSHRNPC1
SCHEMBL17626280 0.73 DHODH (0.40) HPGDALDH1A1MAPK1TSHRNPC1
SCHEMBL10721733 0.73 HPGD (0.95) HPGDALDH1A1MAPK1TSHRLMNA
SCHEMBL6614562 0.72 HPGD (1.00) HPGDALDH1A1MAPK1TSHRNPC1
SCHEMBL27978775 0.70 HPGD (0.73) HPGDALDH1A1MAPK1TSHRLMNA
SCHEMBL20197 0.70 HPGD (0.73) HPGDALDH1A1MAPK1TSHRLMNA
SCHEMBL1927946 0.69 HPGD (1.00) HPGDALDH1A1MAPK1TSHRNPC1

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-2006048331-A1 11β-HSD1 INHIBITORS EVOTEC AG (DE) 2006-05-11 WO disclosed