SCHEMBL7468400

SCHEMBL7468400

COc1cc(C(=O)C=CC(=O)N2CCC(N3CCCN(C)CC3)CC2)ccc1OCC(=O)Nc1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ HTT P42858 3/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ HPGD P15428 2/20 0.44
▸ EGFR P00533 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ MAPK10 P53779 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL7469788 0.97 KDM4E (0.52) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL7471925 0.91 MAPT (0.44) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL7469426 0.89 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL7467382 0.88 KDM4E (0.42) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL7473257 0.88 ALDH1A1 (0.40) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL7465688 0.88 NPC1 (0.46) KDM4EALDH1A1LMNAMAPTHTT
Hydrochloric Acid SCHEMBL7468013 0.87 ALDH1A1 (0.42) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL7473741 0.87 ACHE (0.41) KDM4EALDH1A1LMNAMAPTHTT
Hydrochloric Acid SCHEMBL7475859 0.85 MAPT (0.45) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL7470156 0.85 ACHE (0.42) KDM4EALDH1A1LMNAMAPTHTT

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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