SCHEMBL31174073

SCHEMBL31174073

O=c1cc(-c2c(-n3cc(C(F)(F)F)nn3)ccc(Cl)c2F)cc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 4/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.38
▸ AR P10275 1/20 0.37
▸ NOTUM Q6P988 12/20 0.35
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ AOC3 Q16853 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
SCHEMBL31174065 0.87 F11 (0.36) F11KLK1HDAC6NOTUMAOC3
SCHEMBL31174097 0.83 F11 (0.38) F11KLK1ARNOTUMGABRA2
SCHEMBL31252533 0.82 F11 (0.38) F11KLK1ARNOTUMGABRA2
SCHEMBL31174123 0.82 NOTUM (0.42) F11KLK1HDAC6NOTUMAOC3
SCHEMBL31174041 0.82 F11 (0.39) F11KLK1ARNOTUMGABRA2
SCHEMBL31174079 0.81 NOTUM (0.37) F11KLK1ARNOTUMGABRA2
SCHEMBL24633398 0.81 F11 (0.44) F11KLK1HDAC6AOC3
SCHEMBL31174118 0.81 F11 (0.44) F11KLK1HDAC6AOC3
SCHEMBL29839752 0.78 F11 (0.40) F11KLK1NOTUM
SCHEMBL29839754 0.78 F11 (0.40) F11KLK1NOTUM

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
EP-4737457-A1 POLYSUBSTITUTED MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2026-05-06 — — EP disclosed
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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