SCHEMBL28136199

SCHEMBL28136199

Brc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.70
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 1/20 0.62
AGTR1 P30556 1/20 0.61
CYP19A1 P11511 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ACHE P22303 1/20 0.49
NLRP3 Q96P20 1/20 0.47

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
SCHEMBL22042815 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL11969753 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL4347879 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL15502084 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL18482116 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL19091436 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL4547016 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL4400318 0.98 MCL1 (0.68) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL15887999 0.92 MCL1 (0.61) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL13203474 0.92 MCL1 (0.61) MCL1ALDH1A1MAPK1AGTR1CYP19A1

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
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 CN disclosed