SCHEMBL7364079

SCHEMBL7364079

NC(=O)c1ccc(C(=O)c2cccnc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.61
CYP3A4 P08684 2/20 0.61
TSHR P16473 2/20 0.61
BLM P54132 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ALOX15 P16050 1/20 0.61
AGER Q15109 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MKNK1 Q9BUB5 3/20 0.46
MKNK2 Q9HBH9 3/20 0.46
NAPRT Q6XQN6 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
DHODH Q02127 1/20 0.44
GAA P10253 1/20 0.43
PARP1 P09874 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7367595 0.88 KDM4E (0.67) KDM4EALDH1A1MAPTCYP3A4TSHR
SCHEMBL7365695 0.87 KDM4E (0.61) KDM4EALDH1A1MAPTCYP3A4TSHR
SCHEMBL296670 0.86 KDM4E (0.69) KDM4EALDH1A1MAPTCYP3A4TSHR
Hydrochloric Acid SCHEMBL7853761 0.85 KDM4E (0.67) KDM4EALDH1A1MAPTCYP3A4TSHR
SCHEMBL2212405 0.84 KDM4E (0.61) KDM4EALDH1A1MAPTCYP3A4TSHR
SCHEMBL7529815 0.84 KDM4E (0.61) KDM4EALDH1A1MAPTCYP3A4TSHR
SCHEMBL6987666 0.84 ALDH1A1 (0.61) KDM4EALDH1A1MAPTCYP3A4TSHR
Oxalic Acid SCHEMBL31550428 0.83 KDM4E (0.65) KDM4EALDH1A1MAPTCYP3A4TSHR
SCHEMBL6333183 0.83 KDM4E (0.74) KDM4EALDH1A1MAPTCYP3A4TSHR
SCHEMBL9635664 0.82 KDM4E (0.80) KDM4EALDH1A1MAPTCYP3A4TSHR

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