SCHEMBL30701995

SCHEMBL30701995

Nc1cncc2ccc(N3CCOCC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGMN Q99538 3/20 0.53
▸ PRKDC P78527 2/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ DHFR P00374 1/20 0.44
▸ MAPK10 P53779 1/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ CDK2 P24941 1/20 0.42

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
SCHEMBL27191859 1.00 LGMN (0.53) LGMNPRKDCSMN1; SMN2MAPTNPC1
SCHEMBL27192022 0.82 MAPT (0.47) LGMNPRKDCSMN1; SMN2MAPTNPC1
SCHEMBL27191979 0.80 CDK1 (0.44) MAPTKDM4EHTTCDK1CDK2
SCHEMBL29945999 0.78 C1S (0.58) LGMNPRKDCSMN1; SMN2MAPTNPC1
SCHEMBL27192338 0.76 CDK8 (0.32) —
SCHEMBL30824500 0.74 MAPK10 (0.55) LGMNSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL27191921 0.73 CDK8 (0.32) —
SCHEMBL31509697 0.73 CDK8 (0.32) —
SCHEMBL5798756 0.73 MAPT (0.58) LGMNPRKDCSMN1; SMN2MAPTNPC1
SCHEMBL904452 0.72 LGMN (0.73) LGMNPRKDCSMN1; SMN2MAPTNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 — — EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 — — WO disclosed
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