SCHEMBL7365914

SCHEMBL7365914

O=C(O)c1cccnc1-c1cccc(C(=O)O)c1CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 5/20 0.46
BLM P54132 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NAPRT Q6XQN6 2/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.40
HNF4A P41235 1/20 0.40
CYP2C9 P11712 1/20 0.40
DHODH Q02127 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7363319 0.88 KDM4E (0.54) KDM4ETDP1ALDH1A1BLMCYP3A4
SCHEMBL7365254 0.88 KDM4E (0.54) KDM4ETDP1ALDH1A1BLMCYP3A4
SCHEMBL7362874 0.88 KDM4E (0.50) KDM4ETDP1ALDH1A1BLMCYP3A4
SCHEMBL7365354 0.85 TDP1 (0.50) KDM4ETDP1ALDH1A1BLMCYP3A4
SCHEMBL7370854 0.84 KDM4E (0.49) KDM4ETDP1ALDH1A1BLMCYP3A4
SCHEMBL7364363 0.80 KDM4E (0.51) KDM4ETDP1ALDH1A1BLMCYP3A4
SCHEMBL9265839 0.80 KDM4E (0.74) KDM4ETDP1ALDH1A1BLMCYP3A4
SCHEMBL270419 0.77 KDM4E (1.00) KDM4ETDP1ALDH1A1BLMCYP3A4
SCHEMBL7370193 0.76 KDM4E (0.47) KDM4ETDP1ALDH1A1BLMCYP3A4
SCHEMBL3843396 0.76 HNF4A (0.61) ALDH1A1MAPTALOX15L3MBTL1SMN1; SMN2

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