SCHEMBL27366749

SCHEMBL27366749

COc1ccc(C(=O)O)c([N+](=O)[O-])c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.50
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MYC P01106 1/20 0.43
CDK2 P24941 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
ANO2 Q9NQ90 1/20 0.43
LMNA P02545 1/20 0.42
CDC25B P30305 1/20 0.42
AKR1C3 P42330 1/20 0.41

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
SCHEMBL8683506 0.90 PKM (0.56) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL7350584 0.85 TDP1 (0.46) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL8703261 0.84 CFD (0.49) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL1554733 0.83 KDM4E (0.61) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL7847617 0.83 PKM (0.65) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL1447280 0.83 PKM (0.56) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL30105934 0.83 PKM (0.69) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL621983 0.83 PKM (0.69) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL3478112 0.82 TSHR (0.59) PKMTDP1POLBL3MBTL1TSHR
SCHEMBL8671212 0.82 TSHR (0.59) PKMTDP1POLBL3MBTL1TSHR

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-1053063-A Quinazoline derivant and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-07-17 CN disclosed