SCHEMBL328563

SCHEMBL328563

O=C(c1ccc(Br)cc1)c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)=CCCC=3)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
AHR P35869 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CDC25B P30305 1/20 0.38
ATM Q13315 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.38
SRD5A2 P31213 1/20 0.37
LSS P48449 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
SCHEMBL440767 0.88 AKR1C3 (0.51) AKR1C3KMT2AMEN1LMNAMAPK1
SCHEMBL13635029 0.87 MAPK1 (0.52) MAPK1MAPTRAB9AALDH1A1HPGD
SCHEMBL328561 0.79 AKR1C3 (0.46) AKR1C3KMT2AMEN1LMNAMAPK1
SCHEMBL6246063 0.79 MAPK1 (0.65) AKR1C3KMT2AMEN1LMNAMAPK1
SCHEMBL20783673 0.77 MAPT (0.59) KMT2AMEN1LMNAMAPK1MAPT
SCHEMBL177252 0.75 MEN1 (0.67) AKR1C3KMT2AMEN1LMNAMAPK1
SCHEMBL13448195 0.75 CNR2 (0.40) KMT2AMEN1LMNAMAPTRAB9A
SCHEMBL283198 0.75 ATM (0.50) KMT2AMEN1LMNAMAPTRAB9A
SCHEMBL19314851 0.74 MAPK1 (0.39) KMT2AMEN1LMNAMAPK1MAPT
SCHEMBL12781892 0.74 MAPK1 (0.41) LMNAMAPK1MAPTALDH1A1HPGD

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-2428512-A2 Fluorene compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-14 EP disclosed