SCHEMBL25460902

SCHEMBL25460902

Cc1cccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.43
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
CYP2A6 P11509 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
XBP1 P17861 1/20 0.39
PTBP1 P26599 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL25461562 0.95 TGFBR1 (0.41) TGFBR1MEN1MAPTKMT2ALMNA
SCHEMBL25462311 0.94 CYP2A6 (0.41) TGFBR1MEN1MAPTKMT2ALMNA
SCHEMBL25461034 0.92 TGFBR1 (0.40) TGFBR1MEN1MAPTKMT2ALMNA
SCHEMBL25460882 0.88 TGFBR1 (0.43) TGFBR1MEN1MAPTKMT2ALMNA
SCHEMBL25460889 0.86 TGFBR1 (0.47) TGFBR1MEN1MAPTKMT2ALMNA
SCHEMBL31663552 0.84 TGFBR1 (0.53) TGFBR1MEN1KMT2ACYP2A6RAB9A
SCHEMBL20865266 0.84 CCR1 (0.54) TGFBR1CYP2A6CCR1CCR8
SCHEMBL25461547 0.84 TGFBR1 (0.42) TGFBR1MEN1MAPTKMT2ALMNA
SCHEMBL25462289 0.83 TGFBR1 (0.40) TGFBR1MEN1MAPTKMT2ALMNA
SCHEMBL16189409 0.83 L3MBTL1 (0.48) TGFBR1MEN1MAPTKMT2ALMNA

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-2023085637-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 WO disclosed