SCHEMBL8517784

SCHEMBL8517784

CCCn1nc(N)cc1-c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 2/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL8373875 0.88 ALDH1A1 (0.43) TLR8KMT2AMEN1ALDH1A1TDP1
SCHEMBL8375341 0.84 SMPD1 (0.45) TLR8KMT2AMEN1CYP1A2ALDH1A1
SCHEMBL8517656 0.83 GAA (0.41) TLR8KMT2AMEN1CYP1A2CYP2C9
SCHEMBL23402425 0.82 MEN1 (0.42) TLR8KMT2AMEN1CYP1A2CYP2C9
SCHEMBL8374724 0.82 MAPT (0.47) TLR8KMT2ATDP1TP53
SCHEMBL8038688 0.75 TLR8 (0.43) TLR8KMT2AMEN1CYP1A2CYP2C9
SCHEMBL23401468 0.74 TP53 (0.43) TLR8KMT2AMEN1CYP1A2TP53
SCHEMBL8375164 0.73 SMPD1 (0.49) TLR8KMT2AMEN1CYP1A2CYP2C9
SCHEMBL8376298 0.73 SRC (0.49) TLR8KMT2AMEN1ALDH1A1TDP1
SCHEMBL14750049 0.72 NPC1 (0.61) KMT2AMEN1CYP1A2CYP2C19ALDH1A1

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
EP-0900206-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1999-03-10 EP claimed
WO-1997042173-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1997-11-13 WO claimed