SCHEMBL24156933

SCHEMBL24156933

Cc1ccc2c(n1)OCc1cnn(C)c1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.34
▸ DRD4 P21917 4/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ NR3C2 P08235 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA13 Q8N1Q1 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ BRAF P15056 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
SCHEMBL24156660 0.71 TP53 (0.38) DRD2DRD4MEN1KMT2ACYP1A2
SCHEMBL24156623 0.69 DRD2 (0.31) DRD2DRD4HIF1A
SCHEMBL14660900 0.67 CYP2C19 (0.42) PDE3BPDE3A
SCHEMBL29202265 0.67 MEN1 (0.45) MEN1KMT2ACYP1A2CYP2C9NR3C2
SCHEMBL25897315 0.67 ADRA2A (0.36) DRD2DRD4MEN1KMT2ACYP1A2
SCHEMBL25897326 0.67 HIF1A (0.36) DRD2DRD4MEN1KMT2ACYP1A2
SCHEMBL9537880 0.67 MAPT (0.51) MEN1KMT2ACYP1A2CYP2C9NR3C2
SCHEMBL29766649 0.67 ADRA2A (0.36) DRD2DRD4MEN1KMT2ACYP1A2
SCHEMBL26967792 0.64 MEN1 (0.41) MEN1KMT2ACYP1A2CYP2C9MAPK1
SCHEMBL14661495 0.62 HTT (0.32) PDE3BPDE3A

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-2021259208-A1 TYK-2 INHIBITOR BEIGENE, LTD. (KY) 2021-12-30 — — WO disclosed
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