SCHEMBL13393285

SCHEMBL13393285

NC1CC(C(=O)NCCc2ccncc2)CCC1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.51
▸ POLB P06746 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.42
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA5B Q9Y2D0 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
SCHEMBL28140185 0.76 HSD17B10 (0.68) HSD17B10POLBHTTTDP1KDM4E
SCHEMBL28139608 0.75 HSD17B10 (0.56) HSD17B10POLBHTTTDP1KDM4E
SCHEMBL4597893 0.74 HSD17B10 (0.74) HSD17B10POLBHTTTDP1HDAC2
SCHEMBL12936131 0.74 HSD17B10 (0.58) HSD17B10POLBHTTTDP1KDM4E
Hydrochloric Acid SCHEMBL21641210 0.73 HSD17B10 (0.57) HSD17B10POLBHTTTDP1KDM4E
Hydrochloric Acid SCHEMBL12804218 0.73 HSD17B10 (0.56) HSD17B10POLBHTTTDP1KDM4E
SCHEMBL10285704 0.72 KDM4E (0.57) HSD17B10POLBKDM4EALDH1A1
SCHEMBL19132875 0.72 HSD17B10 (0.55) HSD17B10POLBHTTTDP1KDM4E
SCHEMBL13060936 0.70 CYP2C19 (0.56) HSD17B10POLBKDM4EALDH1A1
SCHEMBL4597891 0.69 HSD17B10 (0.78) HSD17B10POLBHTTTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — WO disclosed
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