SCHEMBL31174114

SCHEMBL31174114

Oc1ncc(F)c(-c2c(-n3cc(C(F)(F)F)nn3)ccc(Cl)c2F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 15/20 0.38
▸ F11 P03951 3/20 0.38
▸ AR P10275 1/20 0.35
▸ KLK1 P06870 1/20 0.35
▸ RXRA P19793 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33

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
SCHEMBL31174077 0.88 F11 (0.39) NOTUMF11ARKLK1RXRA
SCHEMBL30995056 0.82 F11 (0.39) NOTUMF11ARKLK1
SCHEMBL31174109 0.82 F11 (0.37) NOTUMF11ARKLK1
SCHEMBL31174085 0.80 F11 (0.41) NOTUMF11ARKLK1
SCHEMBL31174128 0.80 F11 (0.38) NOTUMF11ARKLK1
SCHEMBL30995003 0.77 NOTUM (0.37) NOTUMF11ARKLK1
SCHEMBL30994997 0.76 F11 (0.39) NOTUMF11ARKLK1
SCHEMBL29227930 0.76 F11 (0.39) NOTUMF11ARKLK1
SCHEMBL30622131 0.76 NOTUM (0.36) NOTUMF11ARKLK1RXRA
SCHEMBL16972063 0.76 AR (0.38) NOTUMF11ARKLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852163-A Macrocyclic compound containing heteroatoms, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-10-29 — — CN disclosed
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