SCHEMBL31387135

SCHEMBL31387135

CCc1c(N2CCNCC2)c(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.46
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPK9 P45984 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ FPR2 P25090 1/20 0.33

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
Hydrochloric Acid SCHEMBL31387155 0.99 WRN (0.46) WRNMAPTTHRBNPSR1HSD17B10
SCHEMBL30037511 0.93 WRN (0.48) WRNMAPTNPSR1HSD17B10MAPK9
SCHEMBL25036821 0.93 WRN (0.48) WRNMAPTNPSR1HSD17B10MAPK9
SCHEMBL31384779 0.92 WRN (0.54) WRNMAPTNPSR1MAPK9ALDH1A1
Hydrochloric Acid SCHEMBL31270598 0.91 WRN (0.53) WRNMAPTNPSR1MAPK9ALDH1A1
SCHEMBL31387245 0.88 WRN (0.41) WRNMAPTHSD17B10LMNAAKR1B1
SCHEMBL30037969 0.88 WRN (0.48) WRNMAPTNPSR1HSD17B10ALDH1A1
SCHEMBL25036677 0.88 WRN (0.48) WRNMAPTNPSR1HSD17B10ALDH1A1
SCHEMBL31500029 0.87 WRN (0.47) WRNMAPTNPSR1HSD17B10ALDH1A1
SCHEMBL31394422 0.86 WRN (0.41) WRNMAPTTHRBALDH1A1SMN1; SMN2

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-2024255765-A1 NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-12-19 — — WO disclosed
Send feedback