SCHEMBL7464851

SCHEMBL7464851

O=C(COc1ccc(C(=O)C=CC(=O)N2CCCCC2)c(O)c1)Nc1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.51
▸ PTPN11 Q06124 1/20 0.51
▸ PTPN13 Q12923 1/20 0.51
▸ PTPN22 Q9Y2R2 1/20 0.51
▸ HDAC4 P56524 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ GAA P10253 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 8/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ LMNA P02545 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ CSNK1D P48730 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ MAPK1 P28482 2/20 0.44

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
SCHEMBL7466973 0.88 HDAC4 (0.46) PTPRCPTPN11PTPN13PTPN22HDAC4
SCHEMBL7470156 0.78 ACHE (0.42) PTPRCPTPN11PTPN13PTPN22HDAC4
SCHEMBL7465688 0.77 NPC1 (0.46) PTPRCPTPN11PTPN13PTPN22HDAC4
SCHEMBL7464848 0.76 NPC1 (0.46) ALDH1A1KDM4ERAB9ANPC1POLB
SCHEMBL7471215 0.75 NPC1 (0.48) PTPRCPTPN11PTPN13PTPN22HDAC4
Hydrochloric Acid SCHEMBL7475859 0.73 MAPT (0.45) HDAC4HDAC8ALDH1A1KDM4ERAB9A
SCHEMBL7532460 0.72 ALDH1A1 (0.60) PTPRCPTPN11PTPN13PTPN22HDAC4
SCHEMBL27364782 0.72 GAA (0.79) ALDH1A1KDM4ERAB9AGAANPC1
SCHEMBL7473741 0.71 ACHE (0.41) ALDH1A1KDM4ERAB9ANPC1POLB
SCHEMBL7470962 0.71 KDM4E (0.44) HDAC4HDAC8ALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 — — EP disclosed
EP-0858452-B1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-03-13 — — EP disclosed
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 disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 — — EP disclosed
EP-0858452-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 — — EP disclosed
WO-1998004536-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-02-05 — — WO disclosed
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 — — WO disclosed
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