SCHEMBL30970534

SCHEMBL30970534

NC(=O)c1cc(C(F)(F)F)c2c(n1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ACHE P22303 5/20 0.39
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
EEF2K O00418 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
GRM2 Q14416 3/20 0.36
SORT1 Q99523 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
WNT3A P56704 1/20 0.35

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
SCHEMBL19998979 0.78 NOS3 (0.56) KDM4EACHERAB9ASMN1; SMN2NPC1
SCHEMBL25250210 0.76 ACHE (0.40) KDM4EACHEALDH1A1RAB9ASMN1; SMN2
SCHEMBL18320768 0.75 KDM4E (0.40) KDM4EACHEALDH1A1TSHREEF2K
SCHEMBL19658235 0.73 LMNA (0.47) KDM4EACHEALDH1A1TSHREEF2K
SCHEMBL25291596 0.72 ACHE (0.40) KDM4EACHEALDH1A1SMN1; SMN2CYP2D6
SCHEMBL18320808 0.72 POLB (0.40) KDM4EACHEALDH1A1HPGDTSHR
SCHEMBL23181388 0.70 GRM2 (0.71) GRM2
SCHEMBL25252076 0.69 ACHE (0.40) ACHESMN1; SMN2L3MBTL1LMNAMEN1
SCHEMBL25803162 0.69 TSHR (0.38) KDM4EACHEALDH1A1RAB9ASMN1; SMN2
SCHEMBL21260230 0.67 GRM2 (0.40) KDM4EEEF2KLMNAGRM2NOS3

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-2024140968-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD AND USE THEREFOR 广州市联瑞制药有限公司 2024-07-04 WO disclosed