SCHEMBL21728243

SCHEMBL21728243

c1ccc(-c2ccc(-c3cc(-c4ccc(C5(c6ccc(-c7cc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccccc8)n7)cc6)CCCCCC5)cc4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
HPGD P15428 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.51
NTSR1 P30989 1/20 0.51
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
GLA P06280 1/20 0.45
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
PGR P06401 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL17725295 1.00 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17725465 1.00 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17725439 1.00 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17725311 1.00 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17725343 1.00 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17725462 1.00 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL26149370 0.98 MEN1 (0.54) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17725437 0.98 MEN1 (0.53) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17725328 0.98 MEN1 (0.53) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL26149366 0.97 MEN1 (0.56) MEN1KMT2AHPGDALDH1A1MAPT

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
EP-3214084-B1 CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-19 EP disclosed