SCHEMBL25848361

SCHEMBL25848361

CCCNC(=O)N1CCC(F)(F)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
HTT P42858 3/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.43
CYP2C9 P11712 1/20 0.42
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL24664428 0.79 KMT2A (0.59) KMT2AHTTCYP2C19LMNATDP1
SCHEMBL3705956 0.79 KMT2A (0.59) KMT2AHTTCYP2C19LMNATDP1
SCHEMBL1651682 0.77 LMNA (0.61) KMT2AHTTCYP2C19LMNATDP1
SCHEMBL23646273 0.76 ITGB3 (0.52) KMT2AHTTMAPK1
SCHEMBL23646232 0.76 ITGB3 (0.52) KMT2AHTTMAPK1
SCHEMBL23646203 0.76 ITGB3 (0.52) KMT2AHTTMAPK1
SCHEMBL23646283 0.76 ITGB3 (0.52) KMT2AHTTMAPK1
SCHEMBL10272740 0.76 TDP1 (0.62) KMT2AHTTCYP2C19LMNATDP1
Hydrochloric Acid SCHEMBL10806956 0.76 LMNA (0.59) KMT2AHTTCYP2C19LMNATDP1
SCHEMBL20307157 0.75 KMT2A (0.57) KMT2AHTTMEN1CYP2C9PRMT5

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed