SCHEMBL28107473

SCHEMBL28107473

O=C(Nc1ccccc1CCc1nc(Cl)ncc1Cl)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ FLT4 P35916 6/20 0.42
▸ ABL1 P00519 5/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDR P35968 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PTBP1 P26599 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL15568521 0.85 FLT4 (0.61) FLT4KDR
SCHEMBL28107724 0.79 FLT4 (0.69) FLT4KDR
SCHEMBL15567622 0.79 FLT4 (0.67) FLT4KDR
SCHEMBL15568298 0.77 FLT4 (0.70) FLT4KDR
SCHEMBL3333738 0.76 EGFR (0.56) ACVRL1ABL1
SCHEMBL3332350 0.74 GAA (0.56) ACVRL1ABL1NPC1RAB9APKM
SCHEMBL13129156 0.73 CETP (0.65) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL15523976 0.72 FLT4 (0.45) FLT4KDR
SCHEMBL28592805 0.71 CYP2C19 (0.64) ACVRL1NPC1RAB9AALDH1A1PKM
SCHEMBL23301458 0.70 ABL1 (0.45) ACVRL1ABL1NPC1RAB9ASMN1; SMN2

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-104736533-B Vegfr3 inhibitor 癌症治疗合作研究中心有限公司 2016-12-07 — — CN disclosed
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