SCHEMBL7370958

SCHEMBL7370958

O=C(c1cccc(Cl)c1)c1oc(=O)c2ccc[nH]c1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP1 P09874 1/20 0.39
MAOB P27338 3/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ATM Q13315 1/20 0.35
MAOA P21397 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
SCHEMBL7359478 0.73 MIF (0.42) KDM4EGAAKMT2AMAOBALDH1A1
SCHEMBL9772454 0.71 ATM (0.55) KDM4EGAAKMT2APARP1MAOB
SCHEMBL3173817 0.68 PARP1 (0.68) GAAPARP1MAOBALDH1A1MAPT
SCHEMBL3444927 0.66 PARP1 (0.65) GAAPARP1MAOBALDH1A1MAPT
SCHEMBL7365563 0.65 CDK8 (0.46) KMT2AALDH1A1MAPTRAB9A
SCHEMBL3445668 0.65 PARP1 (0.63) PARP1MAOBALDH1A1ALOX15ATM
SCHEMBL31514279 0.63 ATM (0.71) PARP1MAOBALDH1A1RAB9AALOX15
SCHEMBL1133114 0.63 ATM (0.71) PARP1MAOBALDH1A1RAB9AALOX15
SCHEMBL6366236 0.63 ALDH1A1 (0.47) KMT2APARP1ALDH1A1MAPTLMNA
SCHEMBL111544 0.62 KMT2A (0.55) KDM4EGAAKMT2APARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612321-B1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX INC (US) 1999-08-25 EP disclosed
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