SCHEMBL21139461

SCHEMBL21139461

CNc1cc(NC2CCNCC2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.56
CYP2C19 P33261 5/20 0.56
CYP3A4 P08684 3/20 0.56
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 3/20 0.56
ALOX15 P16050 2/20 0.56
CYP2C9 P11712 1/20 0.56
HRH4 Q9H3N8 4/20 0.53
HRH3 Q9Y5N1 3/20 0.53
HRH2 P25021 1/20 0.53
MAPK1 P28482 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
NUDT1 P36639 1/20 0.43
CYP2D6 P10635 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
JAK3 P52333 1/20 0.41
IRAK4 Q9NWZ3 2/20 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
SCHEMBL18181915 0.88 MEN1 (0.51) CYP1A2CYP2C19CYP3A4HSD17B10ALDH1A1
SCHEMBL2349988 0.83 CYP1A2 (0.59) CYP1A2CYP2C19CYP3A4HSD17B10ALDH1A1
SCHEMBL13034785 0.83 CYP1A2 (0.52) CYP1A2CYP2C19CYP3A4HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL2344160 0.82 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4HSD17B10ALDH1A1
SCHEMBL20576715 0.81 HRH3 (0.66) CYP1A2CYP2C19CYP3A4HSD17B10ALDH1A1
SCHEMBL20576716 0.81 HRH3 (0.66) CYP1A2CYP2C19CYP3A4HSD17B10ALDH1A1
SCHEMBL19171159 0.80 CYP1A2 (0.52) CYP1A2CYP2C19CYP3A4HSD17B10ALDH1A1
SCHEMBL17303778 0.80 CYP1A2 (0.52) CYP1A2CYP2C19CYP3A4HSD17B10ALDH1A1
SCHEMBL18466271 0.80 HRH4 (0.53) CYP1A2CYP2C19CYP3A4HSD17B10ALDH1A1
SCHEMBL29501437 0.76 CYP1A2 (0.49) CYP1A2CYP2C19CYP3A4HSD17B10ALDH1A1

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-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
EP-3498701-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2019-06-19 EP disclosed