SCHEMBL24656278

SCHEMBL24656278

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cc5ccccc5c5c4ccc4ccccc45)cc3)c3cccc(-c4ccccc4)c3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL24656281 0.95 CHRNA1 (0.32) CDK4CCND1HSD17B1HSD17B2
SCHEMBL24656354 0.93 KDM4E (0.32) CDK4CCND1CA12CA1CA2
SCHEMBL24655254 0.92 CDK4 (0.32) CDK4CCND1CA12CA1CA2
SCHEMBL23822072 0.91 GPR84 (0.33) CA12CA1CA2CA9HSD17B1
SCHEMBL26059189 0.90 CA12 (0.32) CDK4CCND1CA12CA1CA2
SCHEMBL24656909 0.90 CDK4 (0.33) CDK4CCND1CYP1A1CYP1A2CYP1B1
SCHEMBL26851416 0.90 GPR84 (0.32) CA12CA1CA2CA9HSD17B1
SCHEMBL26060323 0.90 HSD17B1 (0.33) CA12CA1CA2CA9HSD17B1
SCHEMBL24658053 0.90 GPR84 (0.32) CDK4CCND1GPR84
SCHEMBL24656504 0.89 CDK4 (0.32) CDK4CCND1CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4243100-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
WO-2022177374-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-08-25 WO disclosed