SCHEMBL7250891

SCHEMBL7250891

C1CCC(N2CCNCC2)CC1.Cn1c(CCc2ccc(C(N)=NO)cc2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ F2 P00734 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HCAR3 P49019 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ F10 P00742 1/20 0.35

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
SCHEMBL7256417 0.99 F2 (0.43) L3MBTL1F2KDM4EHSD17B10GAA
SCHEMBL7243857 0.84 F2 (0.54) F2KDM4EHSD17B10GAAHDAC1
SCHEMBL7253523 0.84 F2 (0.47) F2GAAHDAC1HDAC6HDAC8
SCHEMBL7250212 0.82 F2 (0.45) L3MBTL1F2KDM4EHSD17B10GAA
SCHEMBL7249842 0.81 F2 (0.43) F2HDAC1HDAC6HDAC8MAPT
SCHEMBL7250244 0.81 HTR2C (0.45) F2HDAC1HDAC6HDAC8POLB
SCHEMBL7252575 0.80 THRB (0.44) F2HDAC1HDAC6HCAR3HDAC8
SCHEMBL7249812 0.79 PPARG (0.42) F2HDAC1HDAC6HDAC8HTR2C
SCHEMBL7249727 0.79 F2 (0.41) F2HDAC1HDAC6HDAC8MAPT
SCHEMBL7248203 0.79 F2 (0.42) F2KDM4EHSD17B10GAAHDAC1

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
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 — — US disclosed
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