SCHEMBL22989255

SCHEMBL22989255

c1ccc(-c2ccc(-c3nc(-c4ccc5cc(-n6c7ccc8cccc9sc%10cccc%11ccc6c(c%11%10)c7c89)ccc5c4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.33
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
MCL1 Q07820 1/20 0.31
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
PHOSPHO1 Q8TCT1 1/20 0.31
HPGD P15428 2/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL22988908 0.93 RPA1 (0.32) RPA1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL22989247 0.92 MAPK10 (0.36) RPA1MAPK9MAPK10HPGDALDH1A1
SCHEMBL22989246 0.91 CYP11B1 (0.36) MAPK9MAPK10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22989250 0.91 MAPK10 (0.38) RPA1MAPK9MAPK10PMM2MPI
SCHEMBL22989228 0.89 S1PR5 (0.32) MAPK9MAPK10PMM2MPIPHOSPHO1
SCHEMBL22989187 0.89 MEN1 (0.34) RPA1HPGDMEN1CYP1A2KMT2A
SCHEMBL22988979 0.88 MAPK10 (0.35) RPA1MAPK9MAPK10HPGDALDH1A1
SCHEMBL24154970 0.86 MAPT (0.33) RPA1MCL1HPGDALDH1A1SMN1; SMN2
SCHEMBL24152784 0.85 CYP1A1 (0.33) MCL1HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL18088916 0.85 MAPT (0.34) RPA1HPGDALDH1A1SMN1; SMN2MAPT

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed