SCHEMBL28534115

SCHEMBL28534115

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-n3ccnc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
CYP3A4 P08684 3/20 0.51
IDO1 P14902 1/20 0.48
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP19A1 P11511 1/20 0.44
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ADH5 P11766 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PORCN Q9H237 2/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL15978777 0.85 MEN1 (0.52) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL28518290 0.83 CYP3A4 (0.56) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL4865755 0.83 MEN1 (0.71) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL30824975 0.83 ATM (0.47) KMT2AMAOA
SCHEMBL8739877 0.83 ATM (0.47) KMT2AMAOA
SCHEMBL28522776 0.80 IDO1 (0.49) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL8739888 0.80 ATM (0.47) TSHRCYP3A4MAOAUSP2CYP2D6
SCHEMBL20633476 0.80 ATM (0.47) TSHRCYP3A4MAOAUSP2CYP2D6
SCHEMBL15390058 0.80 CYP3A4 (0.56) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL12162410 0.80 MAPK10 (0.40) MEN1KMT2AMAOAMAOBDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112151685-B Ionic host material and application thereof in solid-state light-emitting electrochemical cell 华中师范大学 2023-06-23 CN disclosed
CN-112151685-A Ionic host material and application thereof in solid-state light-emitting electrochemical cell 华中师范大学 2020-12-29 CN disclosed