SCHEMBL15046447

SCHEMBL15046447

CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(Br)cc4)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.44
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
EGLN1 Q9GZT9 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
PDE4B Q07343 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NLRP3 Q96P20 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
CNR1 P21554 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL15046283 1.00 PGR (0.44) PGRALDH1A1MAPK1KMT2AMEN1
SCHEMBL16411162 0.93 PGR (0.40) PGRALDH1A1MAPK1KMT2AMEN1
SCHEMBL17657222 0.92 PGR (0.41) PGRALDH1A1MAPK1KMT2AMEN1
SCHEMBL13557712 0.91 PGR (0.41) PGRALDH1A1MAPK1KMT2AMEN1
SCHEMBL10331566 0.91 PGR (0.41) PGRALDH1A1MAPK1KMT2AMEN1
SCHEMBL10820306 0.91 PGR (0.41) PGRALDH1A1MAPK1KMT2AMEN1
SCHEMBL13557761 0.90 PGR (0.42) PGRALDH1A1MAPK1KMT2AMEN1
SCHEMBL15020024 0.90 PGR (0.38) PGRALDH1A1MAPK1KMT2AMEN1
SCHEMBL15046108 0.90 PGR (0.38) PGRALDH1A1MAPK1KMT2AMEN1
SCHEMBL15019833 0.89 PGR (0.36) PGRALDH1A1MAPK1KMT2AMEN1

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
WO-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 WO disclosed