SCHEMBL7809643

SCHEMBL7809643

Cn1c(-c2cccnc2)c(C=CCN(O)C(N)=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
TEK Q02763 1/20 0.44
TBXAS1 P24557 5/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 2/20 0.40
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TACR1 P25103 1/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL7803212 0.82 CYP11B2 (0.59) CYP11B2MAPTSMN1; SMN2POLBTEK
SCHEMBL7803165 0.81 CYP11B2 (0.48) CYP11B2MAPTSMN1; SMN2POLBTBXAS1
SCHEMBL10372015 0.79 TBXAS1 (0.57) CYP11B2MAPTSMN1; SMN2POLBTEK
SCHEMBL10372017 0.79 TBXAS1 (0.57) CYP11B2MAPTSMN1; SMN2POLBTEK
Hydrochloric Acid SCHEMBL10986112 0.78 TBXAS1 (0.56) CYP11B2MAPTSMN1; SMN2POLBTEK
Hydrochloric Acid SCHEMBL10373076 0.78 TBXAS1 (0.56) CYP11B2MAPTSMN1; SMN2POLBTEK
SCHEMBL7803071 0.76 MAPT (0.54) CYP11B2MAPTSMN1; SMN2POLBTEK
SCHEMBL7811410 0.75 LMNA (0.71) CYP11B2MAPTSMN1; SMN2POLBTEK
SCHEMBL7807904 0.75 CYP11B2 (0.46) CYP11B2MAPTSMN1; SMN2POLBTBXAS1
SCHEMBL7803160 0.71 APP (0.56) MAPTSMN1; SMN2POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949259-B1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2001-06-20 EP disclosed
US-6184238-B1 ANTIALLERGENS, ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-02-06 US disclosed
EP-0949259-A1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-10-13 EP disclosed