SCHEMBL7250244

SCHEMBL7250244

Cn1c(CCc2ccc(C(N)=NO)cc2)nc2cc(C(=O)O)ccc21.c1ccc(N2CCNCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.45
▸ F2 P00734 3/20 0.45
▸ RAB9A P51151 2/20 0.41
▸ HDAC1 Q13547 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ PLD1 Q13393 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SLC22A2 O15244 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ PROC P04070 1/20 0.37
▸ HPN P05981 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37

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
SCHEMBL7250212 0.87 F2 (0.45) HTR2CF2RAB9AHDAC1POLB
SCHEMBL7253523 0.86 F2 (0.47) HTR2CF2RAB9AHDAC1HDAC8
SCHEMBL7248203 0.85 F2 (0.42) HTR2CF2RAB9AHDAC1HDAC8
SCHEMBL7249842 0.85 F2 (0.43) HTR2CF2RAB9AHDAC1HDAC8
SCHEMBL7249812 0.84 PPARG (0.42) HTR2CF2HDAC1HDAC8HDAC6
SCHEMBL7252575 0.83 THRB (0.44) HTR2CF2HDAC1HDAC8HDAC6
SCHEMBL7243857 0.83 F2 (0.54) F2RAB9AHDAC1HDAC8MEN1
SCHEMBL7249727 0.82 F2 (0.41) HTR2CF2RAB9AHDAC1HDAC8
SCHEMBL7256417 0.82 F2 (0.43) HTR2CF2HDAC1POLBHDAC8
SCHEMBL7250891 0.81 L3MBTL1 (0.42) HTR2CF2RAB9AHDAC1POLB

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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