SCHEMBL8623933

SCHEMBL8623933

O=C(O)C=C(Nc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 3/20 0.59
MAPT P10636 2/20 0.59
HTT P42858 2/20 0.59
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
EGFR P00533 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49

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
SCHEMBL8623927 1.00 MEN1 (0.59) MEN1KMT2ALMNAMAPTHTT
SCHEMBL10873562 0.84 MEN1 (0.51) MEN1KMT2ALMNAMAPTHTT
SCHEMBL10876148 0.83 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL10876160 0.83 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL10874257 0.82 ALDH1A1 (0.54) MEN1KMT2ALMNAMAPTHTT
SCHEMBL10874264 0.82 ALDH1A1 (0.54) MEN1KMT2ALMNAMAPTHTT
SCHEMBL1313381 0.81 EPHX2 (0.52) KMT2AMAPTRAB9ANPC1MAOA
SCHEMBL1313384 0.81 EPHX2 (0.52) KMT2AMAPTRAB9ANPC1MAOA
SCHEMBL6251503 0.81 EPHX2 (0.52) KMT2AMAPTRAB9ANPC1MAOA
SCHEMBL10873724 0.81 GPR35 (0.44) MAPTALDH1A1KCNK3KCNK9GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684942-B1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORP (US) 1998-06-10 EP disclosed
US-5488111-A 8-sulfo-3-quinoline carboxylic acid compounds HOECHST CELANESE CORPORATION (US) 1996-01-30 US disclosed
EP-0684942-A4 1995-12-27 EP disclosed
EP-0684942-A1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORPORATION (US) 1995-12-06 EP disclosed
US-5466808-A 8-sulfo-3-quinoline carboxylic acids and process therefore HOECHST CELANESE CORPORATION (US) 1995-11-14 US disclosed
US-5430152-A Heating aminoarylester in presence of chlorosulfonic acid, oleum HOECHST CELANESE CORPORATION (US) 1995-07-04 US disclosed
WO-1994019312-A1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORPORATION (US) 1994-09-01 WO disclosed