SCHEMBL26200122

SCHEMBL26200122

CCCCCC(=O)Nc1ncnn2c(C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ XDH P47989 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ DEGS1 O15121 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL26200123 0.99 DEGS1 (0.44) EGFRKDRHTTNCOA1NCOA3
SCHEMBL26200121 0.91 KDR (0.47) EGFRKDRHTTNCOA1NCOA3
SCHEMBL26545442 0.84 HTT (0.42) HTTNCOA1NCOA3XDHNPC1
SCHEMBL26545440 0.83 DEGS1 (0.42) HTTNCOA1NCOA3XDHNPC1
SCHEMBL26200118 0.79 EGFR (0.41) EGFRKDRHTTNCOA1NCOA3
SCHEMBL26200119 0.78 EGFR (0.52) EGFRKDRNPC1L3MBTL1RAB9A
SCHEMBL26206072 0.78 KDR (0.47) EGFRKDRGLASMN1; SMN2POLB
SCHEMBL26206054 0.78 EGFR (0.41) EGFRKDRNPC1GLARAB9A
SCHEMBL26206074 0.76 EGFR (0.50) EGFRKDRHTTGLAMAPK1
SCHEMBL26545444 0.75 TSHR (0.44) HTTNCOA1NCOA3L3MBTL1GSK3B

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
WO-2024054618-A1 METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2024-03-14 — — WO disclosed
WO-2023239665-A1 METHODS FOR TREATMENT OF VIRAL INFECTIONS INCLUDING SARS-COV-2 GILEAD SCIENCES, INC. (US) 2023-12-14 — — WO disclosed
WO-2023167938-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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