SCHEMBL21055094

SCHEMBL21055094

c1ccc(CNCc2cccc3c2CCNC3)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CD44 P16070 2/20 0.41
CHRM2 P08172 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CXCR4 P61073 1/20 0.40
HTT P42858 1/20 0.38
CCR5 P51681 1/20 0.37
MAOB P27338 2/20 0.37
PNMT P11086 1/20 0.37
SCN8A Q9UQD0 1/20 0.36
MAOA P21397 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL5569292 0.74 L3MBTL1 (0.62) KDM4EL3MBTL1ALDH1A1ALOX15TSHR
SCHEMBL29823363 0.74 GRIN2D (0.53) KDM4EL3MBTL1ALDH1A1ALOX15TSHR
SCHEMBL1874922 0.74 GRIN2D (0.53) KDM4EL3MBTL1ALDH1A1ALOX15TSHR
SCHEMBL21744699 0.72 TERT (0.46) CD44CHRM2MAOBPNMT
SCHEMBL29438821 0.71 CHRM2 (0.70) KDM4EL3MBTL1ALDH1A1ALOX15TSHR
SCHEMBL230222 0.71 CHRM2 (0.70) KDM4EL3MBTL1ALDH1A1ALOX15TSHR
SCHEMBL25375814 0.70 L3MBTL1 (0.49) KDM4EL3MBTL1ALDH1A1TSHRCHRM2
Hydrochloric Acid SCHEMBL5777593 0.69 CD44 (0.46) CD44MEN1KMT2AHTTMAOB
SCHEMBL14012985 0.69 CD44 (0.53) CD44MAOBPNMT
SCHEMBL21744250 0.69 CHRM2 (0.52) KDM4EALDH1A1CHRM2KMT2ACXCR4

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
EP-3720494-A2 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS Magenta Therapeutics, Inc. (US) 2020-10-14 EP disclosed
WO-2019113375-A2 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS Magenta Therapeutics, Inc. (US) 2019-06-13 WO disclosed