SCHEMBL25879447

SCHEMBL25879447

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6sc7ccccc7c65)c4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.39
▸ ESR1 P03372 3/20 0.37
▸ ESR2 Q92731 3/20 0.37
▸ GPR3 P46089 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL25880059 0.99 F9 (0.38) F9ESR1ESR2GPR3BACE1
SCHEMBL25879381 0.99 F9 (0.38) F9ESR1ESR2GPR3BACE1
SCHEMBL25880061 0.97 F9 (0.36) F9ESR1ESR2GPR3BACE1
SCHEMBL25879532 0.96 F9 (0.36) F9ESR1ESR2GPR3BACE1
SCHEMBL25879912 0.96 F9 (0.36) F9ESR1ESR2BACE1GPR84
SCHEMBL25879448 0.95 F9 (0.36) F9ESR1ESR2GPR3BACE1
SCHEMBL25879918 0.95 F9 (0.36) F9ESR1ESR2GPR3BACE1
SCHEMBL25879530 0.95 F9 (0.36) F9ESR1ESR2GPR3BACE1
SCHEMBL21883363 0.95 F9 (0.37) F9ESR1ESR2GPR3BACE1
SCHEMBL25879443 0.95 GPR3 (0.34) F9ESR1ESR2GPR3MAPT

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
Send feedback