SCHEMBL6169301

SCHEMBL6169301

O=C(O)c1ccc2nc(Cc3ccccc3)n(Cc3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
MAPT P10636 1/20 0.52
VDR P11473 1/20 0.50
DRD2 P14416 1/20 0.50
TBXA2R P21731 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 2/20 0.48
PPARG P37231 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
AGTR1 P30556 4/20 0.46
AGTR2 P50052 4/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45

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
SCHEMBL6168520 0.92 JAK2 (0.53) TP53MAPTVDRDRD2TBXA2R
SCHEMBL6170162 0.90 ALOX5AP (0.54) TP53MAPTDRD2TBXA2RLMNA
SCHEMBL6171260 0.88 DRD2 (0.52) TP53MAPTVDRDRD2TBXA2R
SCHEMBL6172677 0.86 PPARG (0.52) TP53MAPTVDRPOLBLMNA
SCHEMBL1178232 0.85 PPARG (0.53) TP53MAPTVDRDRD2TBXA2R
SCHEMBL13508741 0.84 LMNA (0.68) TP53MAPTVDRDRD2TBXA2R
SCHEMBL6169042 0.83 GLP1R (0.49) PPARGAGTR1AGTR2ALOX5AP
SCHEMBL6168734 0.82 ALOX5AP (0.59) TP53DRD2TBXA2RLMNAPPARG
SCHEMBL6170044 0.81 PPARG (0.64) VDRLMNAPPARGCYP1A2CYP3A4
SCHEMBL6171449 0.80 CNR2 (0.54) TP53MAPTVDRDRD2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6211177-B1 SIDE EFFECT REDUCTION CELL PATHWAYS, INC. 2001-04-03 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed