SCHEMBL16637181

SCHEMBL16637181

O=C(c1ccc(N2CC3(CC3)CC(Cl)(Cl)C2=O)cc1)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.52
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
LMNA P02545 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
SCHEMBL16637490 0.79 HPGD (0.67) HPGDALDH1A1TDP1GAAMEN1
SCHEMBL7132525 0.70 HPGD (1.00) HPGDALDH1A1MEN1TSHRKMT2A
SCHEMBL27479149 0.70 HPGD (1.00) HPGDALDH1A1MEN1TSHRKMT2A
SCHEMBL10721733 0.68 HPGD (0.95) HPGDALDH1A1MEN1TSHRKMT2A
SCHEMBL4491431 0.67 HPGD (0.83) HPGDALDH1A1MEN1TSHRKMT2A
SCHEMBL4050706 0.67 HPGD (0.83) HPGDALDH1A1MEN1TSHRKMT2A
SCHEMBL3917299 0.67 HPGD (0.83) HPGDALDH1A1MEN1TSHRKMT2A
SCHEMBL11112400 0.66 HPGD (0.80) HPGDALDH1A1MEN1TSHRKMT2A
SCHEMBL3455787 0.66 HPGD (0.80) HPGDALDH1A1MEN1TSHRKMT2A
SCHEMBL1590985 0.66 HPGD (0.80) HPGDALDH1A1MEN1TSHRKMT2A

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
WO-2015051713-A1 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRIDIN-2-ONE SPIRO DERIVATIVE, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2015-04-16 WO disclosed
WO-2015051713-A1 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRIDIN-2-ONE SPIRO DERIVATIVE, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2015-04-16 WO disclosed