SCHEMBL30341663

SCHEMBL30341663

NCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.59
▸ EPHX2 P34913 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TLR2 O60603 2/20 0.44
▸ FABP7 O15540 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 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
SCHEMBL2254751 1.00 KMT2A (0.59) KMT2AEPHX2LMNASMN1; SMN2TLR2
SCHEMBL20209153 0.99 KMT2A (0.58) KMT2AEPHX2LMNASMN1; SMN2TLR2
SCHEMBL15160679 0.99 KMT2A (0.58) KMT2AEPHX2LMNASMN1; SMN2TLR2
Hydrochloric Acid SCHEMBL5579268 0.99 KMT2A (0.58) KMT2AEPHX2LMNASMN1; SMN2TLR2
SCHEMBL30455536 0.99 KMT2A (0.58) KMT2AEPHX2LMNASMN1; SMN2TLR2
SCHEMBL31010250 0.99 KMT2A (0.58) KMT2AEPHX2LMNASMN1; SMN2TLR2
SCHEMBL19960742 0.99 KMT2A (0.58) KMT2AEPHX2LMNASMN1; SMN2TLR2
Hydrochloric Acid SCHEMBL30387296 0.97 KMT2A (0.57) KMT2AEPHX2LMNASMN1; SMN2TLR2
Hydrochloric Acid SCHEMBL16742394 0.97 KMT2A (0.57) KMT2AEPHX2LMNASMN1; SMN2TLR2
Hydrochloric Acid SCHEMBL21460614 0.97 KMT2A (0.57) KMT2AEPHX2LMNASMN1; SMN2TLR2

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-2023054636-A1 COMPOUND HAVING PHOTOCLEAVABLE SITE, LINKER, AND SCREENING METHOD USING SAME 中外製薬株式会社 2023-04-06 — — WO disclosed
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