SCHEMBL31258366

SCHEMBL31258366

NCC(CN)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
EPHX1 P07099 1/20 0.36
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29927046 0.97 SIGMAR1 (0.33) SIGMAR1EPHX1
SCHEMBL29102614 0.78 SIGMAR1 (0.39) SIGMAR1EPHX1TP53LMNASMN1; SMN2
SCHEMBL16935658 0.76 SIGMAR1 (0.33) SIGMAR1EPHX1TP53LMNASMN1; SMN2
Bromide SCHEMBL11116567 0.74 SIGMAR1 (0.36) SIGMAR1EPHX1TP53KDM4EGMNN
SCHEMBL1900863 0.74 SIGMAR1 (0.36) SIGMAR1EPHX1TP53KDM4EGMNN
SCHEMBL6062121 0.74 TP53 (0.37) SIGMAR1EPHX1TP53KDM4EGMNN
SCHEMBL9555928 0.74 MEN1 (0.43) SIGMAR1EPHX1TP53LMNASMN1; SMN2
SCHEMBL4189609 0.74 SIGMAR1 (0.36) SIGMAR1EPHX1TP53KDM4EGMNN
SCHEMBL20841523 0.74 MEN1 (0.43) SIGMAR1EPHX1TP53LMNASMN1; SMN2
SCHEMBL17337998 0.72 SIGMAR1 (0.34) SIGMAR1EPHX1TP53KDM4EGMNN

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-115043867-B Six-membered cyclic aminosilane external electron donor, preparation method and application thereof 中国科学院化学研究所 2024-11-26 CN disclosed