SCHEMBL9851537

SCHEMBL9851537

O=c1c(F)c(F)[nH]c2cccc(F)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.49
PARP1 P09874 2/20 0.41
DAO P14920 2/20 0.40
DDO Q99489 1/20 0.39
FFAR1 O14842 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
SLC2A1 P11166 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
HTR2A P28223 1/20 0.35
TYMS P04818 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4219929 0.76 ALDH1A1 (0.61) FEN1PARP1DAODDOCA12
SCHEMBL9128769 0.74 FEN1 (0.50) FEN1PARP1DAODDOFFAR1
SCHEMBL12836459 0.74 FEN1 (0.52) FEN1PARP1DAODDOFFAR1
SCHEMBL3106487 0.71 FEN1 (0.50) FEN1PARP1DAODDOFFAR1
SCHEMBL29567841 0.71 FEN1 (0.50) FEN1PARP1DAODDOFFAR1
Butyric Acid SCHEMBL9251506 0.70 SMN1; SMN2 (0.40) FEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14843284 0.69 PARP1 (0.49) FEN1PARP1DAODDOFFAR1
SCHEMBL24575981 0.68 FEN1 (0.47) FEN1PARP1DAODDOFFAR1
SCHEMBL1203402 0.68 F2 (0.52) FEN1PARP1DAODDOFFAR1
SCHEMBL7041118 0.67 KDM4E (0.50) FEN1PARP1DAODDOKDM4E

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
EP-0424802-A2 Tricyclic quinoline antineoplastic agents ABBOTT LABORATORIES (US) 1991-05-02 EP disclosed