SCHEMBL31299552

SCHEMBL31299552

[N-]=[N+]=NCCOCCN1CCN(CCN2CCN(CCOCCN=[N+]=[N-])CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 1/20 0.41
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HTR1A P08908 1/20 0.30

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
SCHEMBL31299550 0.91 ALDH1A1 (0.42) MGMTPOLBKDM4EALDH1A1GAA
SCHEMBL16906903 0.88 MGMT (0.43) MGMTPOLBKDM4EALDH1A1HTR2A
SCHEMBL31031269 0.88 TSHR (0.47) MGMTPOLBTSHRKDM4EALDH1A1
SCHEMBL16906892 0.88 MGMT (0.43) MGMTPOLBKDM4EALDH1A1HTR2A
SCHEMBL16898530 0.85 CXCR4 (0.38) MGMTPOLBKDM4EALDH1A1
SCHEMBL16898437 0.84 MGMT (0.40) MGMTPOLBKDM4EALDH1A1HTR2A
SCHEMBL16898543 0.84 MGMT (0.40) MGMTPOLBKDM4EALDH1A1HTR2A
SCHEMBL16898547 0.84 MGMT (0.40) MGMTPOLBKDM4EALDH1A1HTR2A
SCHEMBL16898558 0.84 MGMT (0.40) MGMTPOLBKDM4EALDH1A1HTR2A
SCHEMBL16898614 0.84 MGMT (0.35) MGMTPOLBKDM4EALDH1A1GAA

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-2025027177-A1 POLYISOBUTENYL SUCCINIMIDE-BASED COMPOUNDS REPSOL, S.A. (ES) 2025-02-06 — — WO disclosed
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