SCHEMBL9744146

SCHEMBL9744146

CNc1cc(F)ccc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
ATM Q13315 2/20 0.58
POLB P06746 1/20 0.58
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 7/20 0.47
HPGD P15428 4/20 0.47
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL9722922 0.83 GABRA1 (0.41) KDM4EATMPOLBCYP1A2CYP2D6
SCHEMBL14854686 0.83 SMN1; SMN2 (0.51) KDM4EATMCYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL6382375 0.82 KDM4E (0.52) KDM4EPOLBTSHRHPGDSMN1; SMN2
SCHEMBL9722931 0.81 CES2 (0.44)
SCHEMBL3810854 0.81 CLCN2 (0.52) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL2708451 0.81 SLC6A4 (0.51) KDM4EATMCYP1A2CYP2D6TSHR
SCHEMBL30301996 0.81 SLC6A4 (0.51) KDM4EATMCYP1A2CYP2D6TSHR
SCHEMBL9743326 0.80 KDM4E (0.70) KDM4EPOLBCYP1A2CYP2D6TSHR
SCHEMBL22957967 0.80 KDM4E (0.59) KDM4EATMPOLBALDH1A1HPGD
SCHEMBL21751026 0.80 KDM4E (0.59) KDM4EATMPOLBTSHRALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093364-A 5-FLUOROANTHRANILIC FUNGICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-03-03 US disclosed
EP-0360417-A2 Derivatives of 4-fluoroanthranilic acid and their use as fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1990-03-28 EP disclosed
US-4772614-A QUINOLINOLS THE BOOTS COMPANY (GB) 1988-09-20 US disclosed
EP-0135367-B1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1988-03-16 EP disclosed
CN-86104611-A The preparation method of therapeutical agent 1988-01-27 CN disclosed
US-4659718-A VASODILATION THE BOOTS COMPANY PLC (GB) 1987-04-21 US disclosed
EP-0206616-A2 Quinolones having antihypertensive activity The Boots Company PLC (GB) 1986-12-30 EP disclosed
EP-0135367-A1 Therapeutic agents The Boots Company PLC (GB) 1985-03-27 EP disclosed