SCHEMBL25879386

SCHEMBL25879386

c1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(ccc5sc6ccccc6c54)c3)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ F9 P00740 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL25879389 0.98 HSD17B1 (0.34) CDK4CCND1HSD17B1HSD17B2CYP11B1
SCHEMBL25879385 0.95 GPR84 (0.32) CYP11B1KDM4EMEN1ALDH1A1MAPT
SCHEMBL24658151 0.94 NQO1 (0.33) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25881401 0.94 CDK4 (0.32) CDK4CCND1HSD17B1HSD17B2CYP11B1
SCHEMBL25878775 0.94 CDK4 (0.32) CDK4CCND1HSD17B1HSD17B2CYP11B1
SCHEMBL25879388 0.94 HSD17B1 (0.32) HSD17B1HSD17B2CYP11B1F9KDM4E
SCHEMBL25880179 0.93 F9 (0.36) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879445 0.92 F9 (0.33) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879731 0.92 F9 (0.33) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879915 0.92 F9 (0.33) CDK4CCND1HSD17B1HSD17B2F9

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
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