SCHEMBL9488233

SCHEMBL9488233

Cc1ccnc(Nc2ccccc2)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.55
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
RAB9A P51151 7/20 0.48
NPC1 O15118 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 3/20 0.48
GAA P10253 2/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AHR P35869 1/20 0.42
MAPK1 P28482 2/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41

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
SCHEMBL9469652 0.86 RAB9A (0.57) DHODHMEN1KMT2ARAB9ANPC1
SCHEMBL5133830 0.78 KMT2A (0.50) DHODHMEN1KMT2ARAB9ANPC1
SCHEMBL7834036 0.77 BDKRB1 (0.50) KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7443977 0.75 NOS3 (0.47) DHODHMEN1KMT2ARAB9ANPC1
SCHEMBL7761071 0.74 CYP1A2 (0.51) MAPTALDH1A1MAPK1EGFRITK
Hydrochloric Acid SCHEMBL11127891 0.73 NOS3 (0.46) DHODHMEN1KMT2ARAB9ANPC1
SCHEMBL4134533 0.73 DHODH (0.62) DHODHMEN1KMT2ARAB9ANPC1
SCHEMBL13861455 0.72 PDE4B (0.50) DHODHMEN1KMT2ARAB9AMAPT
SCHEMBL10814167 0.72 MAPT (0.57) DHODHMEN1KMT2ARAB9ANPC1
SCHEMBL7236672 0.72 NPC1 (0.60) DHODHMEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5180823-A Processes for preparing bicyclic compounds SCHERING CORPORATION (US) 1993-01-19 US disclosed
US-5079360-A Processes for preparing bicyclic compounds and intermediates thereof SCHERING CORPORATION (US) 1992-01-07 US disclosed
US-4902693-A Anti-allergic esters, acetal ethers, thioethers and nitrogen substituted derivatives of bicyclic compounds SCHERING CORPORATION (US) 1990-02-20 US disclosed
US-4897487-A Process for preparing intermediates for pharmaceutically useful bicyclic compounds SCHERING CORPORATION (US) 1990-01-30 US disclosed
US-4794116-A ANTIINFLAMMATORY AGENTS, CYTOPROTECTIVE AGENTS IN TREATMENT OF HYPERPROLIFERATIVE SKIN DISEASE SCHERING CORPORATION (US) 1988-12-27 US disclosed
US-4782067-A Anti-allergic composition containing zwitterionic bicyclic compounds SCHERING CORPORATION (US) 1988-11-01 US disclosed
US-4551463-A ANTIULCER SCHERING CORPORATION (US) 1985-11-05 US disclosed