SCHEMBL28244751

SCHEMBL28244751

O=C(O)c1cccc(Cn2ncc3ccccc3c2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
PLA2G10 O15496 2/20 0.51
KMT2A Q03164 2/20 0.50
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
MAPK10 P53779 1/20 0.47
PKM P14618 3/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
FOLH1 Q04609 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL9027681 0.84 TDP1 (0.72) TDP1KMT2APOLBHTTPKM
SCHEMBL29703247 0.84 TDP1 (0.72) TDP1KMT2APOLBHTTPKM
SCHEMBL25202643 0.84 IDO1 (0.44) TDP1KMT2AIDO1TDO2POLB
SCHEMBL31051620 0.84 IDO1 (0.44) TDP1KMT2AIDO1TDO2POLB
Hydrochloric Acid SCHEMBL30088832 0.82 TDP1 (0.70) TDP1KMT2APOLBHTTPKM
SCHEMBL28245455 0.80 TDP1 (0.60) TDP1PLA2G10KMT2APOLBPKM
SCHEMBL19011632 0.79 HTT (0.67) TDP1KMT2AIDO1TDO2POLB
SCHEMBL28244750 0.78 TDP1 (0.51) TDP1PLA2G10KMT2APOLBPKM
SCHEMBL31051571 0.75 TDP1 (0.42) TDP1PLA2G10IDO1TDO2ADORA2A
SCHEMBL25180564 0.75 TDP1 (0.42) TDP1PLA2G10IDO1TDO2ADORA2A

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
CN-108558773-A A kind of preparation method of olaparib pharmaceutical intermediate 苏州莱克施德药业有限公司 2018-09-21 CN claimed