SCHEMBL23938640

SCHEMBL23938640

CC1=CC(C)CC(C)=C1c1ccc(N)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL23838376 0.82
SCHEMBL20863343 0.80 MAOA (0.39) CYP3A4ALDH1A1TP53HSD17B10NFKB1
SCHEMBL22562268 0.72 ALDH1A1 (0.39) CYP3A4TDP1ALDH1A1HSD17B10KDM4E
SCHEMBL20860342 0.70 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL9885481 0.70 NOS3 (0.30)
SCHEMBL23766466 0.68 CYP3A4 (0.34) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL23790998 0.68 NOS3 (0.35) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL1496199 0.65
SCHEMBL24245352 0.64 CYP3A4 (0.34) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL13369991 0.62

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4274405-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2023-11-08 EP disclosed
EP-3909964-A2 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2021-11-17 EP disclosed
EP-3896073-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2021-10-20 EP disclosed