SCHEMBL26102684

SCHEMBL26102684

CCOC(=O)c1n[nH]c(Br)c1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ TARBP2 Q15633 1/20 0.42

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
SCHEMBL26103963 0.83 MAPT (0.47) MAPTGABRA2GABRB2KDM4EPOLB
SCHEMBL26502927 0.81 MAPT (0.46) MAPTGABRA2GABRB2KDM4EPOLB
SCHEMBL24114810 0.77 NPC1 (0.48) MAPTGABRA2GABRB2KDM4EPOLB
SCHEMBL5317799 0.76 TRPM8 (0.49) MAPTGABRA2GABRB2KDM4EPOLB
SCHEMBL1255641 0.74 PRKCZ (0.50) MAPTGABRA2GABRB2KDM4EPOLB
SCHEMBL23757849 0.74 KDM4E (0.50) MAPTKDM4EPOLBHTTALDH1A1
SCHEMBL14705878 0.73 GCGR (0.49) MAPTGABRA2GABRB2KDM4EPOLB
SCHEMBL20075637 0.73 GABRA2 (0.43) MAPTGABRA2GABRB2KDM4EPOLB
SCHEMBL16260565 0.72 KDM4E (0.57) MAPTKDM4EPOLBLMNANPC1
SCHEMBL8364027 0.72 TSHR (0.52) MAPTGABRA2GABRB2KDM4ELMNA

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
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 — — WO disclosed
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