SCHEMBL28505725

SCHEMBL28505725

C=CC(=O)c1cncc(N(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ MAPT P10636 3/20 0.38
▸ AKT1 P31749 1/20 0.37
▸ ALDH5A1 P51649 1/20 0.36
▸ ABAT P80404 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30811844 0.78 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL30811710 0.77 KDM4E (0.70) ALDH1A1MEN1KMT2AKDM4EHDAC1
Hydrochloric Acid SCHEMBL30811690 0.75 KDM4E (0.68) ALDH1A1MEN1KMT2AKDM4EHDAC1
SCHEMBL7142011 0.74 AKT1 (0.52) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL3509627 0.74 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL25257194 0.73 POLB (0.60) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL15562080 0.73 HCAR2 (0.60) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL30547504 0.73 POLB (0.60) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL10697553 0.72 MAPT (0.59) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL28333029 0.70 CYP2C19 (0.64) ALDH1A1MEN1KMT2AKDM4EMAPT

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-112023711-A RO reverse osmosis membrane treating agent and preparation method thereof 福州源洁环保科技有限公司 2020-12-04 — — CN disclosed
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