SCHEMBL31440251

SCHEMBL31440251

[2H][C@@]1(O)[C@@H](CO)O[C@](n2cnc3c(=O)[nH]c(NCCCCCCNC(=O)C(F)(F)F)nc32)(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.32
TK1 P04183 1/20 0.31
PDE2A O00408 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KRAS P01116 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 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
SCHEMBL11051437 0.78 KDM4E (0.45) POLA1TK1TAS1R3TAS1R1
SCHEMBL3810729 0.76 HPGD (0.42) TK1ALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL27930721 0.72 KDM4E (0.45) POLA1TK1TAS1R3TAS1R1
SCHEMBL30721730 0.71 KDM4E (0.35)
SCHEMBL5133064 0.70 KDM4E (0.41) TAS1R3TAS1R1
SCHEMBL29834202 0.69 KDM4E (0.42) POLA1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL10433564 0.68 HPGD (0.36) TK1TAS1R3TAS1R1
SCHEMBL3813881 0.66 ADORA1 (0.46) SMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL10481813 0.66 ADORA1 (0.39) ADORA2AADORA2BADORA1
SCHEMBL10890160 0.65 ADORA3 (0.43) ADORA2AADORA2BADORA1

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
CN-120138815-A Methods and systems for processing or analyzing oligonucleotide-encoded molecules 英西特罗股份有限公司 2025-06-13 CN disclosed
CN-113677836-B Methods and systems for processing or analyzing oligonucleotide-encoded molecules 海斯塔克科学公司 2025-04-01 CN disclosed