SCHEMBL30074358

SCHEMBL30074358

[N-]=[N+]=NCCOCCOc1cccc(CCOCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 12/20 0.42
▸ ABCB1 P08183 1/20 0.39
▸ EGFR P00533 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ CRBN Q96SW2 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 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
SCHEMBL25496276 1.00 ABCG2 (0.42) ABCG2ABCB1EGFRKDM4EHTR2A
SCHEMBL24894488 0.95 ABCG2 (0.40) ABCG2ABCB1EGFRKDM4EHTR2A
SCHEMBL25978339 0.85 ACHE (0.40) KDM4EFFAR1
SCHEMBL25496279 0.84 ABCG2 (0.41) ABCG2ABCB1EGFRKDM4EFFAR1
SCHEMBL30074393 0.84 ABCG2 (0.41) ABCG2ABCB1EGFRKDM4EFFAR1
SCHEMBL25496277 0.84 ABCG2 (0.47) ABCG2ABCB1KDM4EFFAR1
SCHEMBL30074414 0.84 ABCG2 (0.47) ABCG2ABCB1KDM4EFFAR1
SCHEMBL29197617 0.82 ABCG2 (0.37) ABCG2ABCB1EGFRKDM4EHTR2A
SCHEMBL25345611 0.81 CRBN (0.32) ABCG2CRBN
SCHEMBL18750482 0.81 CRBN (0.32) ABCG2CRBN

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
EP-4087584-A2 CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES Lycia Therapeutics, Inc. (US) 2022-11-16 — — EP disclosed
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