SCHEMBL6953030

SCHEMBL6953030

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RNASEH1 O60930 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 1/20 0.41

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
SCHEMBL6953028 1.00 HDAC1 (0.49) HDAC1RAB9ANPC1HDAC6HDAC3
SCHEMBL6951815 0.85 ALOX5 (0.45) HDAC1RAB9ANPC1HDAC6HDAC3
SCHEMBL6952013 0.83 RAB9A (0.55) HDAC1RAB9ANPC1HDAC6HDAC3
SCHEMBL6953034 0.80 HDAC1 (0.49) HDAC1RAB9ANPC1HDAC6HDAC3
SCHEMBL6948954 0.78 NPC1 (0.55) RAB9ANPC1HDAC6RNASEH1
SCHEMBL29412049 0.75 PARP1 (0.60) RAB9ANPC1
SCHEMBL6945364 0.75 RAB9A (0.52) RAB9ANPC1HDAC6ALDH1A1MAPT
Maleic Acid SCHEMBL6948865 0.75 RAB9A (0.41) HDAC1RAB9ANPC1HDAC6HDAC3
SCHEMBL6946391 0.74 CHRM1 (0.55) RAB9ANPC1HDAC6ALDH1A1MAPT
SCHEMBL6953982 0.74 RAB9A (0.58) RAB9ANPC1HDAC6ALDH1A1MAPT

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
Send feedback