SCHEMBL28435403

SCHEMBL28435403

COC(=O)c1ccc(CC(C(N)=O)c2cn(O)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.43
▸ EGFR P00533 2/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CTSD P07339 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ EPHX1 P07099 2/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL28373390 0.81 SRC (0.44) SRCEGFRKMT2ANR4A2
SCHEMBL28428982 0.76 GPR84 (0.49) LOXL2RAB9ASMN1; SMN2KMT2ANR4A2
SCHEMBL28369578 0.75 ALDH1A1 (0.43) SRCEGFRKMT2ANR4A2
SCHEMBL28375693 0.74 KDM4E (0.45) SRCEGFRCNR2
SCHEMBL28373306 0.73 CREBBP (0.41) SRCEGFRLOXL2RAB9AKMT2A
SCHEMBL28369894 0.72 NR4A2 (0.46) SMN1; SMN2KMT2ANR4A2
SCHEMBL28373429 0.68 SRC (0.43) SRCEGFRKMT2ANR4A2
SCHEMBL23582664 0.68 LOXL2 (0.59) LOXL2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1002975 0.68 HDAC6 (0.67) CNR2
SCHEMBL5438238 0.67 P2RX4 (0.66) CNR2

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
CN-107149603-B Application of indole compounds and derivatives thereof in preparation of anti-influenza virus drugs 中国医学科学院药物研究所 2020-07-14 — — CN disclosed
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