SCHEMBL8555568

SCHEMBL8555568

Cc1cccc(C(=O)O)c1Nc1ccccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.71
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
AKR1C3 P42330 3/20 0.71
CYP3A4 P08684 3/20 0.71
CYP2C9 P11712 3/20 0.71
AKR1B10 O60218 2/20 0.71
ABCB11 O95342 2/20 0.71
CHRM1 P11229 2/20 0.71
PTGS1 P23219 2/20 0.71
AKR1C2 P52895 2/20 0.71
AKR1C1 Q04828 2/20 0.71
LMNA P02545 2/20 0.71
CYP1A2 P05177 2/20 0.71
HIF1A Q16665 2/20 0.71
TRPA1 O75762 1/20 0.71
DHFR P00374 1/20 0.71
MPO P05164 1/20 0.71
AKR1B1 P15121 1/20 0.71
NAPRT Q6XQN6 1/20 0.71

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
SCHEMBL7851667 0.95 PTGS2 (0.73) PTGS2KMT2AMEN1AKR1C3CYP3A4
SCHEMBL6141200 0.92 PTGS2 (0.73) PTGS2KMT2AMEN1AKR1C3CYP3A4
SCHEMBL10516618 0.87 PTGS2 (0.55) PTGS2KMT2AMEN1AKR1C3CYP3A4
SCHEMBL3500411 0.87 FTO (0.72) PTGS2KMT2AMEN1AKR1C3CYP3A4
SCHEMBL3364068 0.84 POLB (0.60) PTGS2KMT2AMEN1AKR1C3CYP3A4
SCHEMBL7570755 0.84 CLCN2 (0.60) PTGS2KMT2AMEN1AKR1C3CYP3A4
SCHEMBL1186480 0.84 AKR1C3 (0.77) PTGS2KMT2AMEN1AKR1C3CYP3A4
SCHEMBL29834970 0.84 AKR1C3 (0.77) PTGS2KMT2AMEN1AKR1C3CYP3A4
SCHEMBL28277819 0.84 PTGS2 (0.59) PTGS2KMT2AMEN1AKR1C3CYP3A4
SCHEMBL11106473 0.83 AKR1C3 (0.67) PTGS2KMT2AMEN1AKR1C3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934277-A1 PROCESS FOR THE PREPARATION OF N- 2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017649-A1 PROCESS FOR THE PREPARATION OF N-[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE XENOVA LIMITED (GB) 1998-04-30 WO disclosed
EP-0039224-B1 COMPOUND HAVING ANTITUMOUR PROPERTIES DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1984-06-27 EP disclosed
US-4366318-A 4'-/9-/4-/N-NETHYLCARBOXAMIDO/-5-METHYL/ACRYDINYLAMINO/ METHANESULFON-M-ANISIDIDE OR SALT DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1982-12-28 US disclosed
EP-0039224-A2 Compound having antitumour properties DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1981-11-04 EP disclosed
US-4092426-A LIVER DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1978-05-30 US disclosed