SCHEMBL6951815

SCHEMBL6951815

CCOC(=O)/C=C/c1cccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.45
▸ CHEK1 O14757 1/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ AKR1B10 O60218 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40

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
SCHEMBL6953931 0.87 ALOX5 (0.47) ALOX5HDAC1HDAC6AKR1B10AKR1B1
SCHEMBL6953935 0.87 ALOX5 (0.47) ALOX5HDAC1HDAC6AKR1B10AKR1B1
SCHEMBL6953030 0.85 HDAC1 (0.49) HDAC1MAPTNPC1RAB9AHDAC6
SCHEMBL6953028 0.85 HDAC1 (0.49) HDAC1MAPTNPC1RAB9AHDAC6
SCHEMBL6951821 0.83 ALDH1A1 (0.46) ALOX5HDAC1MAPTNPC1RAB9A
SCHEMBL6952472 0.81 HDAC1 (0.40) ALOX5HDAC1MAPTRAB9AHDAC6
SCHEMBL6942886 0.79 PARP1 (0.48) ALOX5CHEK1MAPTNPC1RAB9A
SCHEMBL6952013 0.76 RAB9A (0.55) HDAC1MAPTNPC1RAB9AHDAC6
SCHEMBL6953939 0.76 ALOX5 (0.47) ALOX5HDAC1HDAC6AKR1B10AKR1B1
SCHEMBL6945574 0.76 CHEK1 (0.46) CHEK1MAPTNPC1RAB9AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 — — EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 — — US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 — — EP disclosed
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