SCHEMBL8692276

SCHEMBL8692276

Cc1cc(OCc2ccccc2)nc(N)[n+]1[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.50
HRH4 Q9H3N8 1/20 0.47
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOB P27338 2/20 0.39
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
RAB9A P51151 1/20 0.38
LTA4H P09960 1/20 0.38
MAPK14 Q16539 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL8687585 0.79 ALDH1A1 (0.40) NUDT1TSHRSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8692425 0.73 ALDH1A1 (0.35) TSHRSMN1; SMN2L3MBTL1ALDH1A1TDP1
SCHEMBL11464975 0.73 NUDT1 (0.67) NUDT1HRH4TSHRSMN1; SMN2STAT3
SCHEMBL13884791 0.72 NUDT1 (0.57) NUDT1HRH4TSHRSMN1; SMN2STAT3
SCHEMBL4653644 0.71 SMN1; SMN2 (0.50) HRH4TSHRSMN1; SMN2HTTL3MBTL1
SCHEMBL6403623 0.71 ALOX5 (0.45) NUDT1SMN1; SMN2RAB9ALTA4HMPO
SCHEMBL26660074 0.70 NUDT1 (0.67) NUDT1HRH4SMN1; SMN2STAT3HTT
SCHEMBL26660073 0.70 NUDT1 (0.67) NUDT1HRH4SMN1; SMN2STAT3HTT
SCHEMBL11004512 0.70 MAPT (0.46) SMN1; SMN2STAT3HTTL3MBTL1ALDH1A1
SCHEMBL6832705 0.69 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5610302-A TREATMENT OF DISEASES OF SCALP DERMATITIS L'OREAL (FR) 1997-03-11 US claimed
US-5606037-A Processes antineoplastic heteronaphthoquinones BIOCHEM PHARMA INC. (CA) 1997-02-25 US claimed
EP-0420707-B1 Compositions to be used to reduce hair-loss and to induce and stimulate its growth, containing derivatives of 2-aminopyrimidine 3-oxide and new compounds derived from 2-aminopyrimidine 3-oxide OREAL (FR) 1993-12-15 EP claimed
US-5760043-A USING 2-AMINOPYRIDINE-3-OXIDE L'OREAL (FR) 1998-06-02 US disclosed
US-5610302-A TREATMENT OF DISEASES OF SCALP DERMATITIS L'OREAL (FR) 1997-03-11 US disclosed
US-5606037-A Processes antineoplastic heteronaphthoquinones BIOCHEM PHARMA INC. (CA) 1997-02-25 US disclosed