SCHEMBL7469407

SCHEMBL7469407

CCCCc1cc(C(=O)C=CC(=O)N2CCC(N3CCCN(C)CC3)CC2)ccc1ON(C(C)=O)c1nc2ccccc2s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HRH3 Q9Y5N1 4/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ OGFRL1 Q5TC84 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL7468395 0.88 KDM4E (0.39) KDM4EPOLBNPBWR1MCHR1MAPT
SCHEMBL7471916 0.86 BRD4 (0.36) KDM4EPOLBNPBWR1MCHR1MAPT
SCHEMBL7471921 0.86 BRD4 (0.36) KDM4EPOLBNPBWR1MCHR1MAPT
SCHEMBL7469782 0.85 KDM4E (0.40) KDM4EPOLBNPBWR1MCHR1MAPT
SCHEMBL7469785 0.85 KDM4E (0.40) KDM4EPOLBNPBWR1MCHR1MAPT
SCHEMBL7467375 0.84 TP53 (0.35) KDM4EPOLBNPBWR1MCHR1MAPT
SCHEMBL7467380 0.84 TP53 (0.35) KDM4EPOLBNPBWR1MCHR1MAPT
Hydrochloric Acid SCHEMBL7468011 0.84 TP53 (0.34) KDM4EPOLBNPBWR1MCHR1MAPT
SCHEMBL7473250 0.84 KDM4E (0.41) KDM4EPOLBNPBWR1MCHR1MAPT
SCHEMBL7469426 0.83 ALDH1A1 (0.39) KDM4EMAPTMEN1CYP1A2CYP2C19

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-0858452-B1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-03-13 — — EP claimed
US-6140330-A USEFUL AS PROTEIN KINASE INHIBITOR; FOR TREATMENT OF AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, SYSTEMIC LUPUS ERYTHEMATOSUS, MULTIPLE SCLEROSIS, PSORIASIS, ETC., VARIOUS ALLERGIC DISEASES SUCH AS CROHN'S DISEASE, ASTHMA OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-10-31 — — US claimed
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