SCHEMBL23791891

SCHEMBL23791891

COC(=O)C(N)CNc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ BRAF P15056 6/20 0.37
▸ PDE4A P27815 5/20 0.37
▸ PDE4B Q07343 5/20 0.37
▸ PDE4C Q08493 5/20 0.37
▸ PDE4D Q08499 5/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ FBP1 P09467 2/20 0.35

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
SCHEMBL30173718 0.90 NPC1 (0.41) NPC1LMNAPOLBRAB9AKDM4E
SCHEMBL23782388 0.90 NPC1 (0.41) NPC1LMNAPOLBRAB9AKDM4E
SCHEMBL23782543 0.85 TEAD2 (0.40) NPC1LMNAPOLBRAB9AKDM4E
SCHEMBL23792330 0.84 NPC1 (0.43) NPC1LMNAPOLBRAB9AKDM4E
SCHEMBL23792547 0.82 P2RY2 (0.37) NPC1LMNAPOLBRAB9AKDM4E
SCHEMBL23782560 0.82 NPC1 (0.36) NPC1LMNAPOLBRAB9AKDM4E
SCHEMBL23782347 0.81 TRPV4 (0.37) NPC1LMNAPOLBRAB9AKDM4E
SCHEMBL23791881 0.81 EIF4E (0.36) NPC1LMNAPOLBRAB9AKDM4E
SCHEMBL23782532 0.80 POLB (0.42) NPC1LMNAPOLBRAB9AKDM4E
SCHEMBL23792344 0.80 RAB9A (0.39) NPC1LMNAPOLBRAB9AKDM4E

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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