SCHEMBL24316005

SCHEMBL24316005

CN(C)COc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP3A4 P08684 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
SLC22A6 Q4U2R8 2/20 0.50
HTR1A P08908 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
SLC6A4 P31645 3/20 0.47
GPR84 Q9NQS5 2/20 0.45
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.43
AHR P35869 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4009193 0.85 KDM4E (0.46) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL3555909 0.83 HTR1B (0.55) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL5229462 0.80 SLC22A6 (0.54) MEN1KMT2ACYP3A4KDM4ESLC22A6
SCHEMBL1198964 0.77 SLC22A6 (0.50) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL25881453 0.77 HTR2A (0.50) MEN1KMT2ACYP3A4CYP2D6SLC22A6
SCHEMBL28094105 0.77 SLC22A6 (0.54) MEN1KMT2ACYP3A4ALDH1A1CYP2D6
SCHEMBL31744652 0.76 SLC22A6 (0.50) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL11219841 0.74 SLC22A6 (0.51) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL6989106 0.74 SLC22A6 (0.47) MEN1KMT2ACYP3A4ALDH1A1CYP2D6
SCHEMBL31744841 0.74 KMT2A (0.51) MEN1KMT2ACYP3A4KDM4ESLC22A6

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-2022043227-A1 INJECTABLE FORMULATION SMALL PHARMA LTD (GB) 2022-03-03 WO disclosed
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 US disclosed