SCHEMBL7803071

SCHEMBL7803071

COC(=O)C=Cc1c(-c2cccnc2)n(C)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
CYP11B2 P19099 2/20 0.54
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TEK Q02763 1/20 0.45
TBXAS1 P24557 5/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NR4A2 P43354 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL1883788 0.87 ALDH1A1 (0.59) MAPTSMN1; SMN2POLBLMNAALDH1A1
SCHEMBL30522261 0.87 ALDH1A1 (0.59) MAPTSMN1; SMN2POLBLMNAALDH1A1
SCHEMBL1879533 0.87 ALDH1A1 (0.59) MAPTSMN1; SMN2POLBLMNAALDH1A1
SCHEMBL7811410 0.80 LMNA (0.71) MAPTSMN1; SMN2POLBCYP11B2LMNA
SCHEMBL7803212 0.79 CYP11B2 (0.59) MAPTSMN1; SMN2POLBCYP11B2LMNA
SCHEMBL10373827 0.78 TBXAS1 (0.53) MAPTSMN1; SMN2POLBCYP11B2LMNA
SCHEMBL10373826 0.78 TBXAS1 (0.53) MAPTSMN1; SMN2POLBCYP11B2LMNA
SCHEMBL10372017 0.77 TBXAS1 (0.57) MAPTSMN1; SMN2POLBCYP11B2LMNA
SCHEMBL10372015 0.77 TBXAS1 (0.57) MAPTSMN1; SMN2POLBCYP11B2LMNA
SCHEMBL1879715 0.76 ALDH1A1 (0.58) MAPTSMN1; SMN2POLBLMNAALDH1A1

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