SCHEMBL28339944

SCHEMBL28339944

CC(O)C(N)C(=O)c1ncc2[nH]cnc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MAP3K7 O43318 1/20 0.38
▸ MAP3K6 O95382 1/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ CDK2 P24941 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ PAK1 Q13153 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ POLA1 P09884 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
SCHEMBL1721311 0.77 ALDH1A1 (0.55) ALDH1A1RXFP1KDM4EMAP3K7MAP3K6
SCHEMBL7771676 0.77 ALDH1A1 (0.50) ALDH1A1RXFP1KDM4EMAP3K7MAP3K6
SCHEMBL29400266 0.76 KDM4E (0.46) ALDH1A1RXFP1KDM4EMAP3K7MAP3K6
SCHEMBL30119558 0.76 ALDH1A1 (0.46) ALDH1A1RXFP1KDM4EMAP3K7MAP3K6
SCHEMBL788098 0.75 ALDH1A1 (0.52) ALDH1A1RXFP1KDM4EMAP3K7MAP3K6
SCHEMBL2640836 0.75 ALDH1A1 (0.53) ALDH1A1RXFP1KDM4EMAP3K7MAP3K6
SCHEMBL30556758 0.73 ALDH1A1 (0.50) ALDH1A1RXFP1KDM4EMAP3K7MAP3K6
SCHEMBL4520172 0.73 ALDH1A1 (0.50) ALDH1A1RXFP1KDM4EMAP3K7MAP3K6
SCHEMBL29599053 0.73 RXFP1 (0.51) ALDH1A1RXFP1KDM4EMAP3K7MAP3K6
SCHEMBL14125940 0.72 KDM4E (0.46) ALDH1A1RXFP1KDM4ECYP1A2

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
CN-115947873-A Self-assembling protein nanostructures displaying paramyxovirus and/or pneumovirus F proteins and uses thereof 华盛顿大学 2023-04-11 — — CN disclosed
CN-115779077-A Self-assembling protein nanostructures displaying paramyxovirus and/or pneumovirus F proteins and uses thereof 华盛顿大学 2023-03-14 — — CN disclosed
CN-110603262-A Self-assembling protein nanostructures displaying paramyxovirus and/or pneumovirus F proteins and uses thereof 华盛顿大学 2019-12-20 — — CN disclosed
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