SCHEMBL21729271

SCHEMBL21729271

Cc1cccc(-c2ccc(-c3cc(-c4ccc(-c5nc(C)cc(C)n5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ABCG2 Q9UNQ0 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.43
RAB9A P51151 2/20 0.43
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
CYP2A6 P11509 1/20 0.43
NTSR1 P30989 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
SCHEMBL16189305 0.95 MEN1 (0.49) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL19009464 0.95 MEN1 (0.49) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL16189386 0.89 MEN1 (0.49) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL17932783 0.89 MEN1 (0.49) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL16189265 0.89 MEN1 (0.49) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL19009474 0.89 L3MBTL1 (0.50) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL16189443 0.89 MEN1 (0.54) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL17932287 0.89 MEN1 (0.54) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL16189330 0.89 MEN1 (0.54) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL16189523 0.89 CYP2A6 (0.44) LMNAMEN1KMT2AMAPTHPGD

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
US-20200058878-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-20 US disclosed