SCHEMBL30119558

SCHEMBL30119558

COC(=O)c1ncc2[nH]cnc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CDK2 P24941 2/20 0.41
▸ PAK1 Q13153 1/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37
▸ POLA1 P09884 1/20 0.36
▸ MAP3K7 O43318 1/20 0.36
▸ MAP3K6 O95382 1/20 0.36
▸ MAP3K5 Q99683 1/20 0.36
▸ ABL1 P00519 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GABRP O00591 1/20 0.35

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
SCHEMBL14125940 0.83 KDM4E (0.46) ALDH1A1KDM4ERXFP1HPGDGABRP
SCHEMBL7771676 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL788098 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL28190667 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL30556758 0.78 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL29599053 0.78 RXFP1 (0.51) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL4520172 0.78 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL1721311 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL29400266 0.77 KDM4E (0.46) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL14938925 0.77 ALDH1A1 (0.42) ALDH1A1KDM4ERXFP1CDK2PAK1

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-114958636-B Recombinant yarrowia lipolytica capable of producing punica granatum at high yield as well as construction method and application thereof 南京工业大学 2023-07-14 — — CN disclosed
CN-109971807-B Method for synthesizing polyunsaturated fatty acid starch ester by subcritical fluid system and application thereof 吉林省长德健康产业有限公司 2023-02-07 — — CN disclosed
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