SCHEMBL7365920

SCHEMBL7365920

O=C(O)c1cc(-c2ncccc2C(=O)O)ccc1CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAPRT Q6XQN6 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCL1 Q07820 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
GAA P10253 1/20 0.40
PDK1 Q15118 1/20 0.40

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
SCHEMBL7362876 0.88 KDM4E (0.48) KDM4ETDP1ALDH1A1NPSR1L3MBTL1
SCHEMBL7365259 0.87 TDP1 (0.53) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL7363321 0.87 KDM4E (0.53) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL9375005 0.85 KDM4E (0.50) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL7365358 0.84 KDM4E (0.49) KDM4ETDP1ALDH1A1L3MBTL1MCL1
SCHEMBL7370858 0.83 KDM4E (0.48) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL27687569 0.76 ACMSD (0.59) MCL1DHODHACMSD
SCHEMBL4094629 0.76 KDM4E (0.61) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL912675 0.76 KDM4E (0.77) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL31586013 0.76 KDM4E (0.77) KDM4ETDP1ALDH1A1CYP3A4MAPT

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
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US 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