SCHEMBL7249609

SCHEMBL7249609

Cc1ccccc1N1C=CC=CC=N1.Cn1c(CCc2ccc(C#N)cc2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.41
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ GLP1R P43220 1/20 0.38
▸ NTRK1 P04629 5/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ NTRK2 Q16620 3/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36

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
Hydrochloric Acid SCHEMBL7256031 0.89 F2 (0.44) F2HDAC1HDAC8NTRK1HDAC6
SCHEMBL6486632 0.82 F2 (0.50) F2HDAC1HDAC8GLP1RNTRK1
SCHEMBL7248938 0.82 HTR2C (0.43) F2HDAC1HDAC8GLP1RNTRK1
Hydrochloric Acid SCHEMBL7244675 0.81 F2 (0.49) F2HDAC1HDAC8GLP1RNTRK1
SCHEMBL7250650 0.76 GLP1R (0.48) F2HDAC1HDAC8GLP1RHDAC6
Phenylpiperazine SCHEMBL7248311 0.75 HTR2C (0.46) F2HDAC1HDAC8GLP1RNTRK1
SCHEMBL7244672 0.74 F2 (0.47) F2HDAC1HDAC8NTRK1HDAC6
SCHEMBL7246014 0.74 HDAC1 (0.50) F2HDAC1HDAC8HDAC6KDM4E
SCHEMBL6475543 0.72 KDM4E (0.48) F2HDAC1HDAC8NTRK1HDAC6
SCHEMBL7255958 0.72 GLP1R (0.43) F2HDAC1HDAC8GLP1RNTRK1

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
Send feedback