SCHEMBL7366065

SCHEMBL7366065

O=C(O)c1ccc(-c2oc(=O)c3ccc[nH]c2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TTR P02766 1/20 0.37
CYP2D6 P10635 1/20 0.37
TNKS O95271 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SCN2A Q99250 1/20 0.36
CAMKK2 Q96RR4 1/20 0.35
PARP1 P09874 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL7363528 0.87 IKBKB (0.40) NPC1RAB9AKDM4EALDH1A1CYP2D6
SCHEMBL7365409 0.84 ALDH1A1 (0.44) NPC1RAB9AKDM4EALDH1A1TNKS
SCHEMBL7363579 0.84 MAPT (0.49) KDM4EALDH1A1CYP2D6MEN1KMT2A
SCHEMBL7364846 0.81 NPC1 (0.43) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL4659229 0.73 NAPRT (0.52) KDM4EALDH1A1TTRCYP2D6TNKS
SCHEMBL7370381 0.72 NR4A2 (0.37) KDM4EALDH1A1
SCHEMBL7359478 0.71 MIF (0.42) MIFKDM4EALDH1A1MEN1KMT2A
SCHEMBL7361674 0.71 MAOB (0.42) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL7366172 0.71 GAPDH (0.47) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL7368565 0.69 ALDH1A1 (0.50) MIFNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed