SCHEMBL28162774

SCHEMBL28162774

CC(=O)C(c1ccc(CN2CCOCC2)cc1)c1ccc(C(=O)NCCN(O)C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.52
▸ LMNA P02545 3/20 0.50
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HIF1A Q16665 1/20 0.45
▸ EPAS1 Q99814 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL13267211 0.87 KMT2A (0.60) KMT2AKDM4ELMNANPC1RAB9A
SCHEMBL28162775 0.85 KMT2A (0.58) KMT2AKDM4ELMNANPC1RAB9A
SCHEMBL3015924 0.84 KMT2A (0.57) KMT2AKDM4ELMNANPC1RAB9A
Formaldehyde SCHEMBL28162776 0.83 KMT2A (0.61) KMT2AKDM4ELMNANPC1RAB9A
SCHEMBL28162851 0.79 KMT2A (0.55) KMT2AKDM4ELMNANPC1RAB9A
SCHEMBL28137071 0.77 HRH3 (0.53) KMT2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL28162854 0.75 KMT2A (0.50) KMT2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL10184791 0.75 KMT2A (0.64) KMT2AKDM4ELMNANPC1RAB9A
SCHEMBL10272436 0.74 KMT2A (0.77) KMT2AKDM4ELMNANPC1RAB9A
SCHEMBL28137827 0.74 KDM4E (0.47) KMT2AKDM4ELMNANPC1RAB9A

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-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 — — CN disclosed
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