SCHEMBL19967009

SCHEMBL19967009

CCOC(=O)C1CCN([C@@](C)(C=N)C(C)CCl)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 7/20 0.41
GAA P10253 4/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LIPE Q05469 1/20 0.38

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
SCHEMBL19967010 0.87 MAPT (0.49) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8260610 0.77 MAPT (0.58) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL19966981 0.72 MAPT (0.56) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL25609417 0.71 MAPT (0.51) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL27629749 0.70 MAPT (0.57) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL741956 0.68 MAPT (0.61) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL15930259 0.67 MAPT (0.62) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL19967012 0.67 LMNA (0.41) MAPTKMT2AKDM4ETSHRSMN1; SMN2
SCHEMBL5520122 0.67 MAPT (0.60) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL17282166 0.67 MAPT (0.50) MAPTALDH1A1GAAMEN1KMT2A

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-2018045907-A1 NOVEL 2-ACYLAMINOTHIAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-03-15 WO disclosed