SCHEMBL7803010

SCHEMBL7803010

CC(O)c1cn(Cc2cccnc2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.57
CNR1 P21554 1/20 0.57
APP P05067 3/20 0.55
SNCA P37840 3/20 0.55
HTR2C P28335 1/20 0.51
CHRM1 P11229 2/20 0.50
CYP19A1 P11511 3/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
GUSB P08236 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7809463 0.81 CNR2 (0.53) CNR2CNR1APPSNCAHTR2C
SCHEMBL17372069 0.79 HTR2C (0.62) CNR2CNR1APPSNCAHTR2C
SCHEMBL31370702 0.77 HTR2C (0.60) CNR2CNR1APPSNCAHTR2C
SCHEMBL9583818 0.75 HTR2C (0.54) CNR2CNR1APPSNCAHTR2C
SCHEMBL7809912 0.74 APP (0.67) CNR2CNR1APPSNCAHTR2C
SCHEMBL23809203 0.73 SLC22A12 (0.52) CNR2CNR1APPSNCACHRM1
SCHEMBL11974276 0.73 ALDH1A1 (0.59) CNR2CNR1CYP19A1ALDH1A1USP2
SCHEMBL8758836 0.73 HTR2C (0.58) CNR2CNR1APPSNCAHTR2C
SCHEMBL2077843 0.72 CNR2 (1.00) CNR2CNR1
SCHEMBL31370014 0.72 KMT2A (0.55) CNR2CNR1APPSNCAHTR2C

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