SCHEMBL8995810

SCHEMBL8995810

CCCCCCCCc1ccccc1N=[N]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.53
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 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
SCHEMBL10518779 1.00 LIPG (0.53) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL21065715 0.85 LIPG (0.56) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL8524683 0.81 LIPG (0.53) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL17965857 0.80 LIPG (0.51) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL31677053 0.80 LIPG (0.51) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL6679764 0.80 LIPG (0.69) LIPGCYP3A4NR1H2NR1H3BID
SCHEMBL2511612 0.80 LIPG (0.69) LIPGCYP3A4NR1H2NR1H3BID
SCHEMBL18496530 0.80 LIPG (0.69) LIPGCYP3A4NR1H2NR1H3BID
SCHEMBL7534048 0.80 LIPG (0.69) LIPGCYP3A4NR1H2NR1H3BID
SCHEMBL9699968 0.80 LIPG (0.69) LIPGCYP3A4NR1H2NR1H3BID

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-5518846-A DISAZOACETYLENIC COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-05-21 US disclosed
EP-0399403-B1 Electrophotographic photoreceptor FUJI PHOTO FILM CO LTD (JP) 1995-04-26 EP disclosed
US-5106712-A Sensitivity, durability FUJI PHOTO FILM CO., LTD. (JP) 1992-04-21 US disclosed
US-5073465-A High sensitivity and durability FUJI PHOTO FILM CO., LTD. (JP) 1991-12-17 US disclosed
US-5053302-A Photosensitivity, durability FUJI PHOTO FILM CO., LTD. (JP) 1991-10-01 US disclosed
EP-0399403-A1 Electrophotographic photoreceptor FUJI PHOTO FILM CO., LTD. (JP) 1990-11-28 EP disclosed