SCHEMBL29601182

SCHEMBL29601182

CC(C)Oc1ccc(Br)nc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
ALDH1A3 P47895 1/20 0.39
MAP4K4 O95819 1/20 0.39
ACACB O00763 4/20 0.38
KMT2A Q03164 1/20 0.38
PARP10 Q53GL7 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
SYK P43405 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACACA Q13085 2/20 0.36

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
SCHEMBL708825 1.00 CHRNB2 (0.40) CHRNB2CHRNA4ALDH1A3MAP4K4ACACB
SCHEMBL24002863 0.84 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL32667064 0.83 CHRNB2 (0.44) CHRNB2CHRNA4ALDH1A1
SCHEMBL12923995 0.81 CHRNB2 (0.39) CHRNB2CHRNA4ACACB
SCHEMBL30187182 0.79 ALOX15 (0.39) CHRNB2CHRNA4KMT2AALDH1A1
SCHEMBL2895317 0.79 ALOX15 (0.39) CHRNB2CHRNA4KMT2AALDH1A1
SCHEMBL17273947 0.78 TDP1 (0.51) MAP4K4KMT2AALDH1A1
SCHEMBL21095850 0.78 TDP1 (0.51) MAP4K4KMT2AALDH1A1
SCHEMBL3719165 0.78 ACACB (0.47) CHRNB2CHRNA4ACACBALDH1A1ACACA
SCHEMBL1000603 0.77 NOS3 (0.46) ALDH1A3MAP4K4ACACBKMT2APARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025030002-A2 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2025-02-06 WO disclosed
EP-4472963-A1 DGK TARGETING COMPOUNDS AND USES THEREOF Arvinas Operations, Inc. (US) 2024-12-11 EP disclosed
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed