SCHEMBL5737268

SCHEMBL5737268

COc1c(-c2ccccc2)cc(C(=O)Nc2c(Cl)cncc2Cl)c2c3cc([N+](=O)[O-])ccc3n(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 10/20 0.43
▸ PDE4D Q08499 7/20 0.43
▸ PDE4A P27815 6/20 0.43
▸ PDE4C Q08493 6/20 0.43
▸ F2RL3 Q96RI0 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ F2R P25116 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ RORC P51449 3/20 0.40
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL5748483 0.87 PDE4B (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL5748929 0.84 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL4028106 0.83 PDE4D (0.52) PDE4BPDE4DPDE4APDE4C
SCHEMBL5016432 0.76 CDK2 (0.41) F2RL3MEN1KMT2ALMNAMAPT
SCHEMBL5026571 0.74 TUBB4A (0.43) F2RL3MEN1KMT2ALMNAMAPT
SCHEMBL6531077 0.74 TUBB4A (0.43) F2RL3MEN1KMT2ALMNAMAPT
SCHEMBL4026840 0.70 MAPT (0.46) F2RL3MEN1KMT2ALMNAMAPT
SCHEMBL4026844 0.70 MAPT (0.46) F2RL3MEN1KMT2ALMNAMAPT
SCHEMBL5016450 0.70 PDE4D (0.57) PDE4BPDE4DPDE4APDE4C
SCHEMBL4027963 0.69 PDE4D (0.56) PDE4BPDE4DPDE4APDE4C

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
EP-1620429-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals S.A. (CH) 2006-02-01 — — EP disclosed
WO-2004089940-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (US) 2004-10-21 — — WO disclosed
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