SCHEMBL7620069

SCHEMBL7620069

Cc1nc2cccc(OCc3c(C)cc(F)cc3C)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
DHFR P00374 2/20 0.38
DCPS Q96C86 2/20 0.38
SGMS2 Q8NHU3 1/20 0.37
PARP1 P09874 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL7612960 0.88 SGMS2 (0.46) SMN1; SMN2LMNAMAPTHTTCYP1A2
SCHEMBL9528492 0.83 MAPT (0.54) SMN1; SMN2LMNAPOLBMAPTSTAT3
SCHEMBL7614912 0.80 DRD2 (0.48) SMN1; SMN2LMNAPOLBMAPTSTAT3
SCHEMBL7619113 0.77 L3MBTL1 (0.54) SMN1; SMN2LMNAPOLBMAPTSTAT3
SCHEMBL7616818 0.74 CYP3A4 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9528423 0.74 MAPT (0.53) SMN1; SMN2LMNAPOLBMAPTSTAT3
SCHEMBL4611131 0.71 ALDH1A1 (0.46) SMN1; SMN2LMNAPOLBMAPTHTT
SCHEMBL9529218 0.69 DRD2 (0.45) MAPTPARP1KMT2AAR
SCHEMBL24818523 0.69 KDM4E (0.41) POLBMAPTPARP1
SCHEMBL7610738 0.68 CYP3A4 (0.44) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906288-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2002-11-06 EP claimed
US-6465505-B1 SUCH AS 4-(2,6-DIMETHYLBENZYLAMINO OR BENZYLOXY)-2-METHYL BENZIMIDAZOLE; INHIBITING EXOGENOUS OR ENDOGENOUS STIMULATED GASTRIC ACID SECRETION; PREVENTION AND TREATMENT OF GASTRO-INTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2002-10-15 US claimed
EP-0906288-A1 NEW COMPOUNDS Astra Aktiebolag (SE) 1999-04-07 EP claimed
WO-1997047603-A1 NEW COMPOUNDS ASTRA AKTIEBOLAG (SE) 1997-12-18 WO claimed
EP-0906288-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2002-11-06 EP disclosed
US-6465505-B1 SUCH AS 4-(2,6-DIMETHYLBENZYLAMINO OR BENZYLOXY)-2-METHYL BENZIMIDAZOLE; INHIBITING EXOGENOUS OR ENDOGENOUS STIMULATED GASTRIC ACID SECRETION; PREVENTION AND TREATMENT OF GASTRO-INTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2002-10-15 US disclosed
EP-0906288-A1 NEW COMPOUNDS Astra Aktiebolag (SE) 1999-04-07 EP disclosed
WO-1997047603-A1 NEW COMPOUNDS ASTRA AKTIEBOLAG (SE) 1997-12-18 WO disclosed