SCHEMBL7670043

SCHEMBL7670043

CCCCc1nc2cc(C(N)=O)cc(Cc3ccccc3Cl)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PNP P00491 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL7670039 0.84 HTT (0.37) PNPCNR1CNR2GPR52TLR8
SCHEMBL6755307 0.72 CHEK2 (0.40) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL672823 0.71 ALOX5 (0.44) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL28161278 0.70 PARP1 (0.41) PARP1KDM4ELMNAMAPTHTT
SCHEMBL9512926 0.69 HPGD (0.41) PARP1KDM4ELMNAMAPTHPGD
SCHEMBL27915136 0.69 SLC6A4 (0.51) PARP1KDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9509544 0.67 APLNR (0.40) PARP1KDM4ELMNAMAPTALDH1A1
SCHEMBL6168674 0.67 AGTR1 (0.57) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL8554263 0.67 ALOX5 (0.39) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL6930961 0.67 ALOX5 (0.39) LMNAMAPTALDH1A1SMN1; SMN2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1132087-A1 REMEDIES FOR POLYCYSTIC OVARY SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-12 EP 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