SCHEMBL22990593

SCHEMBL22990593

CC(C)(C)[Si](C)(C)OC1C[C@H](n2cc(F)c3c(=O)[nH]cnc32)O[C@@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RNASE1 P07998 1/20 0.36
▸ TYMP P19971 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ TK1 P04183 3/20 0.33
▸ TK2 O00142 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ DNMT1 P26358 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
SCHEMBL17106775 0.83 PRMT5 (0.40) ALDH1A1
SCHEMBL27252311 0.82 ALDH1A1 (0.55) LMNATYMPKDM4EALDH1A1ALB
SCHEMBL9548812 0.82 ALDH1A1 (0.55) LMNATYMPKDM4EALDH1A1ALB
SCHEMBL20224942 0.81 LMNA (0.60) LMNASMN1; SMN2TYMPALOX12ADRA1A
SCHEMBL26273448 0.81 LMNA (0.63) LMNASMN1; SMN2RNASE1ALOX12ADRA1A
SCHEMBL9318488 0.81 LMNA (0.63) LMNASMN1; SMN2RNASE1ALOX12ADRA1A
SCHEMBL25372583 0.81 LMNA (0.63) LMNASMN1; SMN2RNASE1ALOX12ADRA1A
SCHEMBL9318484 0.81 LMNA (0.63) LMNASMN1; SMN2RNASE1ALOX12ADRA1A
SCHEMBL25679985 0.80 ADK (0.35) LMNASMN1; SMN2TYMPALDH1A1ALB
SCHEMBL21073950 0.77 ADK (0.34) TYMP

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
EP-3512861-B1 CYCLIC DINUCLEOTIDES AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-02-17 — — EP disclosed
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