SCHEMBL27070113

SCHEMBL27070113

Cc1nc(C(F)(F)F)ccc1SNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 2/20 0.40
▸ IDH2 P48735 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ SYK P43405 2/20 0.39
▸ KRAS P01116 1/20 0.38
▸ ACACB O00763 6/20 0.36
▸ HDAC4 P56524 2/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ OXTR P30559 1/20 0.35
▸ AVPR1A P37288 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ EIF2AK4 Q9P2K8 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
SCHEMBL27034269 0.82 SFRP1 (0.42) IDH1IDH2EHMT2SYK
SCHEMBL26065733 0.81 SYK (0.38) IDH1IDH2SYKKRASACACB
SCHEMBL25300699 0.76 EHMT2 (0.46) IDH1IDH2EHMT2SYKKRAS
SCHEMBL30012480 0.76 EHMT2 (0.46) IDH1IDH2EHMT2SYKKRAS
SCHEMBL27070110 0.75 PDE9A (0.32) IDH1IDH2
SCHEMBL26065392 0.74 CYP11B2 (0.37) SYKKRASACACBCYP11B2EIF2AK4
SCHEMBL26065251 0.74 CYP11B2 (0.37) SYKKRASACACBHDAC4CYP11B2
SCHEMBL25368335 0.74 TRPV4 (0.42) IDH1IDH2SYKCYP11B2
SCHEMBL30776008 0.73 KRAS (0.42) IDH1IDH2EHMT2KRASP2RX3
SCHEMBL27346552 0.72 NR1H2 (0.38) IDH1IDH2HDAC4

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-2024020156-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-25 — — WO disclosed
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