SCHEMBL28367159

SCHEMBL28367159

N#Cc1ccc(-c2ccccc2N2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
MGLL Q99685 1/20 0.40
AR P10275 1/20 0.40
NR1H3 Q13133 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL19372407 0.87 MGLL (0.47) MGLLARNR1H3MAOAPGR
SCHEMBL21927944 0.86 KDM4E (0.43) LMNAMAPTTP53ARALDH1A1
SCHEMBL28367162 0.84 LMNA (0.41) LMNAMAPTTP53MGLLMEN1
SCHEMBL21928512 0.83 CYP11B2 (0.41) LMNAMAPTTP53CYP11B2
SCHEMBL19345019 0.83 HDAC6 (0.47) LMNAMAPTTP53MEN1ALDH1A1
SCHEMBL21927943 0.82 TGFBR1 (0.38) LMNAMAPTTP53ARPGR
SCHEMBL21921750 0.80 LMNA (0.38) LMNAMAPTTP53MEN1ALDH1A1
SCHEMBL21928516 0.80 ALDH1A1 (0.40) MGLLMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL19344967 0.80 HDAC6 (0.50) LMNAMAPTTP53MEN1ALDH1A1
SCHEMBL29617995 0.80 HDAC6 (0.50) LMNAMAPTTP53MEN1ALDH1A1

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-110914378-A Composition for use in organic light emitting diodes 九州有机光材股份有限公司 2020-03-24 CN disclosed