SCHEMBL5027701

SCHEMBL5027701

CCCc1nc2cc(OC(=O)O)cc(C)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
TP53 P04637 1/20 0.34
CACNA1G O43497 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL158113 0.80 APEX1 (0.41) ADORA1KDM4EADORA3ADORA2AKMT2A
SCHEMBL1118704 0.79 ACACB (0.39) KDM4EKMT2AMAPTTP53MAPK1
SCHEMBL9754854 0.77 KDM4E (0.45) KDM4EKMT2AMAPT
Hydrochloric Acid SCHEMBL4437776 0.77 ALDH1A1 (0.41) ADORA1KDM4EADORA3ADORA2AKMT2A
SCHEMBL3707021 0.76 CA12 (0.42) KDM4EKMT2AMAPTMAPK1
SCHEMBL1918976 0.76 MAPT (0.40) KDM4EKMT2AMAPTMAPK1
SCHEMBL13907870 0.75 KMT2A (0.40) ADORA1KDM4EADORA3ADORA2AKMT2A
SCHEMBL1918152 0.73 ADORA1 (0.38) ADORA1KDM4EADORA3ADORA2AKMT2A
SCHEMBL3712699 0.72 KMT2A (0.38) ADORA1KDM4EADORA3ADORA2AKMT2A
SCHEMBL25110136 0.72 ADORA1 (0.37) ADORA1KDM4EADORA3ADORA2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912951-A1 PREPARATION OF 1,7` -DIMETHYL-2 `-PROPYL-2,5` -BI-1H-BENZIMIDAZOLE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-04-23 EP disclosed
WO-2007009967-A1 PREPARATION OF 1,7′-DIMETHYL-2′-PROPYL-2,5′-BI-1H-BENZIMIDAZOLE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-25 WO disclosed