SCHEMBL6946608

SCHEMBL6946608

COC(=O)c1c(F)ccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.50
BRD4 O60885 2/20 0.50
MMP2 P08253 1/20 0.50
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PLA2G2A P14555 2/20 0.42
NTRK1 P04629 3/20 0.41
NTRK2 Q16620 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALOX5 P09917 1/20 0.40
RNASEH1 O60930 2/20 0.40
HDAC1 Q13547 1/20 0.40
GAA P10253 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
SCHEMBL6948248 0.87 RAB9A (0.48) CREBBPBRD4HDAC6NPC1RAB9A
SCHEMBL6947019 0.83 MAPT (0.44) CREBBPBRD4MMP2HDAC6NPC1
SCHEMBL6946613 0.81 MMP2 (0.50) MMP2HDAC6NPC1RAB9APLA2G2A
SCHEMBL24744902 0.76 PARP1 (0.42) GAA
SCHEMBL6953197 0.76 MMP2 (0.44) CREBBPBRD4MMP2HDAC6NPC1
SCHEMBL6953199 0.74 MMP2 (0.45) CREBBPBRD4MMP2HDAC6NPC1
SCHEMBL6954309 0.73 MAPT (0.43) CREBBPBRD4MMP2HDAC6NPC1
SCHEMBL11563800 0.72 BRD4 (0.43) CREBBPBRD4MMP2HDAC6NPC1
SCHEMBL6948942 0.72 BRD4 (0.50) CREBBPBRD4MMP2HDAC6NPC1
Hydrochloric Acid SCHEMBL6953955 0.72 MMP2 (0.45) CREBBPBRD4MMP2HDAC6NPC1

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