SCHEMBL7809912

SCHEMBL7809912

O=Cc1cn(Cc2cccnc2)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.67
SNCA P37840 3/20 0.67
ALDH1A1 P00352 9/20 0.61
SMN1; SMN2 Q16637 9/20 0.61
HTT P42858 5/20 0.61
LMNA P02545 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
MAPK1 P28482 1/20 0.55
CHRM1 P11229 2/20 0.55
HTR2C P28335 1/20 0.50
CYP1A2 P05177 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL29377589 0.84 ALDH1A1 (0.78) APPSNCAALDH1A1SMN1; SMN2HTT
SCHEMBL1418988 0.84 ALDH1A1 (0.78) APPSNCAALDH1A1SMN1; SMN2HTT
SCHEMBL8758321 0.84 MAPT (0.75) APPSNCAALDH1A1SMN1; SMN2HTT
SCHEMBL1789510 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL31005228 0.78 SNCA (0.75) APPSNCAALDH1A1SMN1; SMN2LMNA
SCHEMBL17372069 0.78 HTR2C (0.62) APPSNCACNR1CNR2CHRM1
SCHEMBL7803160 0.78 APP (0.56) APPSNCAALDH1A1SMN1; SMN2HTT
SCHEMBL29503950 0.77 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL8758318 0.77 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL4363978 0.77 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HTTLMNATDP1

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