SCHEMBL31258646

SCHEMBL31258646

Cn1c(N)nc2cc(Cc3ccccc3)cc(C#N)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.45
KDM4E B2RXH2 6/20 0.40
GAA P10253 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
BACE1 P56817 3/20 0.39
PRMT5 O14744 1/20 0.38
BCAT2 O15382 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
FPR1 P21462 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR8 Q9NR97 1/20 0.34
MAP2K1 Q02750 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL25168462 1.00 LTB4R (0.45) LTB4RKDM4EGAANPSR1RXFP1
Hydrochloric Acid SCHEMBL25175077 0.99 LTB4R (0.44) LTB4RKDM4EGAANPSR1RXFP1
Hydrochloric Acid SCHEMBL31220087 0.99 LTB4R (0.44) LTB4RKDM4EGAANPSR1RXFP1
SCHEMBL31258613 0.89 RAB9A (0.36) LTB4RKDM4EPRMT5MAPTALDH1A1
SCHEMBL25168395 0.89 RAB9A (0.36) LTB4RKDM4EPRMT5MAPTALDH1A1
SCHEMBL25167934 0.88 TLR8 (0.36) LTB4RKDM4EGAAPRMT5HPGD
SCHEMBL31258624 0.88 TLR8 (0.36) LTB4RKDM4EGAAPRMT5HPGD
SCHEMBL25171841 0.87 TSHR (0.40) KDM4EGAABACE1MAPTHPGD
SCHEMBL31258625 0.87 TSHR (0.40) KDM4EGAABACE1MAPTHPGD
SCHEMBL25168423 0.84 MAPT (0.41) KDM4EGAARXFP1BACE1PRMT5

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
CN-118974035-A 2-Aminoimidazole derivatives as PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-11-15 CN claimed