SCHEMBL24427640

SCHEMBL24427640

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ AAK1 Q2M2I8 3/20 0.36
▸ NOTUM Q6P988 2/20 0.35
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ KDM1A O60341 2/20 0.33
▸ NCEH1 Q6PIU2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ S1PR4 O95977 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
SCHEMBL29534370 0.83 POLB (0.41) LMNAPOLBAAK1CACNA1GCACNA1B
SCHEMBL11927854 0.83 POLB (0.41) LMNAPOLBAAK1CACNA1GCACNA1B
SCHEMBL31270065 0.80 CACNA1G (0.35) LMNAPOLBCACNA1GCACNA1BCACNA1C
SCHEMBL13460225 0.80 GABRG2 (0.37) LMNAPOLBCACNA1GCACNA1BCACNA1C
SCHEMBL23144207 0.80 HRH4 (0.43) HRH4LMNAPOLBCACNA1BSMN1; SMN2
SCHEMBL25033104 0.80 CACNA1G (0.35) LMNAPOLBCACNA1GCACNA1BCACNA1C
SCHEMBL29811800 0.80 HRH4 (0.43) HRH4LMNAPOLBCACNA1BSMN1; SMN2
SCHEMBL30836855 0.79 AAK1 (0.40) SOS1AAK1NCEH1NPC1RECQL
SCHEMBL15755068 0.79 AAK1 (0.41) SOS1LMNAPOLBAAK1NCEH1
SCHEMBL18719604 0.79 AAK1 (0.39) SOS1PTGDR2LMNAAAK1NCEH1

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
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 — — EP disclosed
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