SCHEMBL21055028

SCHEMBL21055028

NCc1ccc(CNC2CCCc3cccnc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
CXCR4 P61073 13/20 0.50
CYP2D6 P10635 7/20 0.46
CYP3A4 P08684 6/20 0.46
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.40
ADORA2A P29274 1/20 0.40
CHRM3 P20309 1/20 0.39

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
SCHEMBL5575215 0.97 HDAC1 (0.65) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL13909820 0.93 HDAC1 (0.76) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL4065807 0.90 HDAC1 (0.68) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL4562865 0.88 HDAC1 (0.69) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL4887341 0.88 HDAC1 (0.69) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL4065804 0.84 HDAC1 (0.78) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL4070374 0.84 HDAC1 (0.64) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL14037709 0.84 HDAC1 (0.64) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL31380423 0.84 HDAC1 (0.64) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL4066161 0.83 HDAC1 (0.63) HDAC1HDAC6CXCR4CYP2D6CYP3A4

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