SCHEMBL8760698

SCHEMBL8760698

O=C(O)Oc1cc(F)ccc1Nc1ccc(F)cc1OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 2/20 0.38
AURKA O14965 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
PKM P14618 1/20 0.37
MKNK2 Q9HBH9 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MPO P05164 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MAP2K1 Q02750 2/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL8129651 0.76 AKR1C3 (0.45) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14829704 0.75 CES2 (0.47) HTTCYP2C19RAB9ACYP1A2CYP3A4
SCHEMBL186133 0.73 CA3 (0.45) HTTALDH1A1PKM
SCHEMBL10442091 0.73 FFAR4 (0.45) CYP2C19ALDH1A1CYP3A4
SCHEMBL6036225 0.73 KMT2A (0.38) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9444987 0.72 PKM (0.62) HTTCYP2C19ALDH1A1NPC1RAB9A
SCHEMBL28396688 0.72 MRGPRX4 (0.49) CYP2C19ALDH1A1CYP1A2CYP3A4PKM
SCHEMBL9445003 0.72 RAB9A (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL9000255 0.71 FABP3 (0.61) ALDH1A1FABP3FABP4MPOAKR1C3
SCHEMBL22853479 0.71 KDM4E (0.52) HTTCYP2C19FABP3FABP4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647614-B1 Process for the préparation of 5-fluoro anthranilic acid HOECHST AG (DE) 1997-06-04 EP disclosed
EP-0647614-A1 Process for the préparation of 5-fluoro anthranilic acid HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-12 EP disclosed