SCHEMBL28916904

SCHEMBL28916904

CCOC(=O)c1nnn(CC)c1C(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 8/20 0.44
▸ SLC5A2 P31639 8/20 0.44
▸ CYP19A1 P11511 4/20 0.44
▸ TP53 P04637 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ TSHR P16473 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL24174935 0.86 NPC1 (0.42) TP53LMNANPC1KMT2AALDH1A1
SCHEMBL24174314 0.83 SLC5A1 (0.45) SLC5A1SLC5A2CYP19A1TP53ALOX12
SCHEMBL24174057 0.83 SLC5A1 (0.45) SLC5A1SLC5A2CYP19A1TP53ALOX12
SCHEMBL24174062 0.83 SLC5A1 (0.39) SLC5A1SLC5A2CYP19A1TP53ALOX12
SCHEMBL24665507 0.82 CYP19A1 (0.67) SLC5A1SLC5A2CYP19A1TP53ALOX12
SCHEMBL23153541 0.76 CYP19A1 (0.44) SLC5A1SLC5A2CYP19A1TP53ALOX12
SCHEMBL24174006 0.74 TP53 (0.40) SLC5A1SLC5A2TP53ALOX12KMT2A
SCHEMBL16892757 0.72 LMNA (0.50) TSHRLMNANPC1KMT2AALDH1A1
SCHEMBL4216366 0.69 NPC1 (0.47) CYP19A1TP53TSHRLMNAMAPK1
SCHEMBL1412582 0.69 TP53 (0.42) SLC5A1SLC5A2CYP19A1TP53ALOX12

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-119569706-A Therapeutic compounds 希四克斯探索有限公司 2025-03-07 — — CN disclosed
CN-112996785-B Therapeutic compounds 希四克斯探索有限公司 2024-12-06 — — CN disclosed
CN-112996785-A Therapeutic compounds 希四克斯探索有限公司 2021-06-18 — — CN disclosed
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