SCHEMBL7256417

SCHEMBL7256417

C1CCC(N2CCNCC2)C1.Cn1c(CCc2ccc(C(N)=NO)cc2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HCAR3 P49019 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ CYP2D6 P10635 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
SCHEMBL7250891 0.99 L3MBTL1 (0.42) F2L3MBTL1HDAC1HDAC8KDM4E
SCHEMBL7243857 0.85 F2 (0.54) F2HDAC1HDAC8KDM4EHSD17B10
SCHEMBL7253523 0.85 F2 (0.47) F2HDAC1HDAC8GAAHDAC6
SCHEMBL7250212 0.83 F2 (0.45) F2L3MBTL1HDAC1HDAC8KDM4E
SCHEMBL7250244 0.82 HTR2C (0.45) F2HDAC1HDAC8HDAC6POLB
SCHEMBL7249842 0.82 F2 (0.43) F2HDAC1HDAC8HDAC6HTR2C
SCHEMBL7252575 0.81 THRB (0.44) F2HDAC1HDAC8HCAR3HDAC6
SCHEMBL7248203 0.80 F2 (0.42) F2HDAC1HDAC8KDM4EHSD17B10
SCHEMBL7249812 0.80 PPARG (0.42) F2HDAC1HDAC8HDAC6HTR2C
SCHEMBL7249727 0.80 F2 (0.41) F2HDAC1HDAC8HDAC6HTR2C

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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