SCHEMBL30609019

SCHEMBL30609019

Brc1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.55
MCL1 Q07820 3/20 0.54
ALDH1A1 P00352 6/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
RAB9A P51151 1/20 0.52
HPGD P15428 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CTRC Q99895 1/20 0.49
MAPT P10636 3/20 0.48
NTSR1 P30989 1/20 0.48
KDM4E B2RXH2 3/20 0.47
CYP19A1 P11511 1/20 0.47
XDH P47989 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL18192027 1.00 AGTR1 (0.55) AGTR1MCL1ALDH1A1MAPK1MEN1
SCHEMBL14951425 0.95 MEN1 (0.56) AGTR1MCL1ALDH1A1MAPK1MEN1
SCHEMBL24960216 0.91 MCL1 (0.51) AGTR1MCL1ALDH1A1MAPK1MEN1
SCHEMBL13203631 0.90 MCL1 (0.58) AGTR1MCL1ALDH1A1MAPK1MEN1
SCHEMBL24960848 0.90 MEN1 (0.52) AGTR1MCL1ALDH1A1MAPK1MEN1
SCHEMBL19091436 0.87 MCL1 (0.70) AGTR1MCL1ALDH1A1MAPK1MEN1
SCHEMBL22042815 0.87 MCL1 (0.70) AGTR1MCL1ALDH1A1MAPK1MEN1
SCHEMBL11969753 0.87 MCL1 (0.70) AGTR1MCL1ALDH1A1MAPK1MEN1
SCHEMBL18482116 0.87 MCL1 (0.70) AGTR1MCL1ALDH1A1MAPK1MEN1
SCHEMBL4547016 0.87 MCL1 (0.70) AGTR1MCL1ALDH1A1MAPK1MEN1

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-116761450-A Organic electroluminescent element 苏州驳凡熹科技有限公司 2023-09-15 CN disclosed