SCHEMBL8634675

SCHEMBL8634675

CCN(Cc1ccco1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
CNR2 P34972 4/20 0.47
CNR1 P21554 3/20 0.47
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
RIPK1 Q13546 1/20 0.42
FFAR2 O15552 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL5790031 0.82 TSHR (0.52) TSHRALDH1A1MEN1KMT2ATAAR1
SCHEMBL8629960 0.79 ALOX5 (0.42) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL11669014 0.77 ALOX5 (0.46) TSHRALDH1A1MEN1KMT2ARIPK1
SCHEMBL13990259 0.77 TSHR (0.41) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL14641064 0.77 ALDH1A1 (0.40) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL1642904 0.75 HTT (0.50) ALDH1A1POLBRIPK1ALOX5MAPT
SCHEMBL2806112 0.75 HTT (0.50) ALDH1A1POLBRIPK1ALOX5MAPT
SCHEMBL8633566 0.74 TSHR (0.55) TSHRCNR2ALDH1A1MEN1KMT2A
Diethylaniline SCHEMBL9000098 0.73 TSHR (0.70) TSHRCNR2ALDH1A1MEN1KMT2A
Diethylaniline SCHEMBL17594 0.73 TSHR (0.70) TSHRCNR2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709816-A N,N-DISUBSTITUTED ANILINE COMPOUNDS KAO CORPORATION (JP) 1998-01-20 US disclosed
EP-0761214-A2 N,N-disubstituted anilines or alkylamines as singlet oxygen quenchers, topical compositions comprising them KAO CORPORATION (JP) 1997-03-12 EP disclosed