SCHEMBL30459611

SCHEMBL30459611

[2H]N1Cc2cccc(F)c2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.44
AURKA O14965 2/20 0.37
IKBKB O14920 2/20 0.36
KDR P35968 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TTR P02766 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
TYK2 P29597 3/20 0.34
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
TYMS P04818 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PARP1 P09874 1/20 0.33
JAK2 O60674 3/20 0.32
RAF1 P04049 1/20 0.32

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
SCHEMBL15648949 0.81 AURKA (0.54) SRD5A1AURKAKDRTYK2CA9
SCHEMBL25656352 0.74 PARP10 (0.52) SRD5A1PARP1JAK2
SCHEMBL24643279 0.72 IKBKB (0.44) SRD5A1AURKAIKBKBKDRHTR2C
SCHEMBL30812435 0.72 IKBKB (0.44) SRD5A1AURKAIKBKBKDRHTR2C
SCHEMBL30459657 0.70 CDK5 (0.41) SRD5A1IKBKBKDRCA9CA12
SCHEMBL22904178 0.70 TDP2 (0.64) SRD5A1TDP2
SCHEMBL29376253 0.68 CA12 (0.63) SRD5A1CA9CA12PARP1TDP2
SCHEMBL15154660 0.68 CA12 (0.63) SRD5A1CA9CA12PARP1TDP2
SCHEMBL192783 0.68 SRD5A1 (0.53) SRD5A1TTRAADATCA9TYMS
SCHEMBL30459565 0.68 HTR2A (0.32) HTR2CHTR2B

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed