SCHEMBL18199870

SCHEMBL18199870

CC(C)(C)c1ccc(-c2ccc(N)c(N)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
KIF11 P52732 4/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 4/20 0.46
TP53 P04637 2/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.45
KCNH2 Q12809 2/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP17A1 P05093 2/20 0.43
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL28948882 0.89 KMT2A (0.48) KMT2AMEN1TDP1KIF11NPC1
SCHEMBL23040384 0.83 KIF11 (0.45) KMT2AMEN1TDP1KIF11NPC1
SCHEMBL10002173 0.83 KIF11 (0.45) KMT2AMEN1TDP1KIF11NPC1
SCHEMBL29377581 0.81 ALDH1A1 (0.64) KMT2AMEN1TDP1KIF11NPC1
SCHEMBL256203 0.81 ALDH1A1 (0.64) KMT2AMEN1TDP1KIF11NPC1
SCHEMBL12772920 0.81 TDP1 (0.93) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL10002175 0.80 DHODH (0.43) KMT2AMEN1TDP1KIF11NPC1
Hydrochloric Acid SCHEMBL8878556 0.79 ALDH1A1 (0.61) KMT2AMEN1TDP1KIF11NPC1
SCHEMBL5715974 0.79 NPC1 (0.47) KMT2AMEN1TDP1KIF11NPC1
SCHEMBL3903661 0.78 KIF11 (0.61) KMT2AMEN1TDP1KIF11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016174813-A1 2,2'-BIBENZO[D]IMIDAZOLIDENE COMPOUND HAVING HETEROMONOCYCLIC GROUPS AT THE 1-, 1'-, 3- AND 3'-POSITIONS, AND ORGANIC LIGHT-EMITTING ELEMENT AND DISPLAY DEVICE CONTAINING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-11-03 WO disclosed