SCHEMBL20103161

SCHEMBL20103161

O=C1CCCCCCCN1c1cc(F)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
PARP1 P09874 6/20 0.42
HSD17B10 Q99714 1/20 0.40
AKR1C3 P42330 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
F10 P00742 2/20 0.35
PPOX P50336 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL24928510 0.83 HSD17B10 (0.44) HPGDPARP1HSD17B10AKR1C3ALDH1A1
SCHEMBL20103445 0.81 P2RX7 (0.52) PARP1ALDH1A1POLBP2RX7
SCHEMBL22816936 0.76 HSD17B10 (0.42) HPGDHSD17B10AKR1C3ALDH1A1POLB
SCHEMBL6329653 0.75 PARP1 (0.43) PARP1HSD17B10ALDH1A1F10
SCHEMBL20103114 0.75 PARP1 (0.38) HPGDPARP1AKR1C3ALDH1A1L3MBTL1
SCHEMBL22816934 0.74 ALDH1A1 (0.60) HSD17B10ALDH1A1POLB
SCHEMBL20103130 0.73 ADRA1A (0.48) HSD17B10AKR1C3ALDH1A1POLBL3MBTL1
SCHEMBL11181693 0.73 HSD17B10 (0.53) HPGDHSD17B10AKR1C3ALDH1A1POLB
SCHEMBL8305486 0.73 HSD17B10 (0.45) HSD17B10AKR1C3ALDH1A1POLBF10
SCHEMBL85665 0.73 ALDH1A1 (0.44) PARP1HSD17B10ALDH1A1POLBF10

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-2018078005-A1 AMIDO-SUBSTITUTED AZASPIRO DERIVATIVES AS TANKYRASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed