SCHEMBL28513340

SCHEMBL28513340

N#Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 4/20 0.40
SQOR Q9Y6N5 3/20 0.40
MAPT P10636 2/20 0.40
NTSR1 P30989 1/20 0.40
CSNK2A1 P68400 1/20 0.39
ADORA1 P30542 4/20 0.39
ADORA2A P29274 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20114647 0.92 ALDH1A1 (0.40) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL25904410 0.90 KDM4E (0.39) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL19953866 0.89 ALDH1A1 (0.37) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL25902624 0.87 ALDH1A1 (0.36) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL23127736 0.87 ALDH1A1 (0.43) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL25903808 0.87 KDM4E (0.35) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL20114522 0.86 CYP11B1 (0.37) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL23127510 0.86 SQOR (0.39) ALDH1A1MEN1KMT2AHPGDSQOR
SCHEMBL31273251 0.85 ALDH1A1 (0.35) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL20150374 0.85 ALDH1A1 (0.42) CYP11B1CYP11B2ALDH1A1MEN1KMT2A

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-112272695-A Composition of matter for organic light emitting diode 九州有机光材股份有限公司 2021-01-26 CN disclosed