SCHEMBL21810992

SCHEMBL21810992

OCC(CO)NCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
ALDH1A1 P00352 4/20 0.54
RECQL P46063 1/20 0.51
CTSL P07711 1/20 0.50
LTA4H P09960 1/20 0.50
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
CHRM2 P08172 1/20 0.49
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
KEAP1 Q14145 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
FES P07332 1/20 0.46
RET P07949 1/20 0.46
MARK3 P27448 1/20 0.46

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
SCHEMBL13256436 0.90 KMT2A (0.55) CYP1A2CYP2D6ALDH1A1RECQLCTSL
SCHEMBL30729674 0.83 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1RECQLCTSL
SCHEMBL19334562 0.82 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1RECQLLTA4H
SCHEMBL29870876 0.79 PDCD1 (0.56) CYP1A2CYP2D6RECQLPKMKMT2A
SCHEMBL4051277 0.79 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1RECQLCTSL
SCHEMBL17198522 0.78 CYP1A2 (0.62) CYP1A2CYP2D6ALDH1A1RECQLCTSL
SCHEMBL104748 0.78 CYP1A2 (0.62) CYP1A2CYP2D6ALDH1A1RECQLLTA4H
SCHEMBL7663759 0.77 TYMP (0.35) ALDH1A1
SCHEMBL19334592 0.77 CYP1A2 (0.51) CYP1A2CYP2D6ALDH1A1RECQLLTA4H
SCHEMBL4441100 0.77 IDO1 (0.50) ALDH1A1KMT2AGAASMN1; SMN2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020055153-A1 NOVEL SERINOL-BASED COMPOUND, AND COSMETIC AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME 닥터 레이몬드 래보라토리 2020-03-19 WO claimed
WO-2020055153-A1 NOVEL SERINOL-BASED COMPOUND, AND COSMETIC AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME 닥터 레이몬드 래보라토리 2020-03-19 WO disclosed