SCHEMBL23791820

SCHEMBL23791820

COC(=O)c1sc(C)cc1Nc1nc(-c2ccc(Cl)c(C(F)(F)F)c2)c(C(C)C)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 6/20 0.46
▸ NOTUM Q6P988 2/20 0.45
▸ RORB Q92753 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.39
▸ RAPGEF3 O95398 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 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
SCHEMBL23782503 0.90 NOTUM (0.44) DHODHNOTUMRORBKDM4ERAPGEF3
SCHEMBL30176220 0.90 NOTUM (0.44) DHODHNOTUMRORBKDM4ERAPGEF3
SCHEMBL23791928 0.89 DHODH (0.41) DHODHNOTUMKDM4EMEN1KMT2A
SCHEMBL23782583 0.88 DHODH (0.49) DHODHNOTUMRORBKDM4ELMNA
SCHEMBL30173735 0.88 DHODH (0.49) DHODHNOTUMRORBKDM4ELMNA
SCHEMBL30173780 0.80 DHODH (0.47) DHODHRORBRAPGEF3RAPGEF4MEN1
SCHEMBL23782602 0.80 DHODH (0.47) DHODHRORBRAPGEF3RAPGEF4MEN1
SCHEMBL26241854 0.79 MAPT (0.39) DHODHNOTUMKDM4EMEN1KMT2A
SCHEMBL23792390 0.79 KDM4E (0.41) DHODHNOTUMKDM4EMEN1KMT2A
SCHEMBL23782403 0.79 NOTUM (0.43) DHODHNOTUMRORBKDM4ERAPGEF3

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-2021178488-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. (US) 2021-09-10 — — WO disclosed
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