SCHEMBL25836108

SCHEMBL25836108

N=C(N)/C=C(\N)c1ccc(Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.56
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
SLC6A4 P31645 1/20 0.35
C1S P09871 1/20 0.34
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
MAP2K1 Q02750 2/20 0.32
MAP2K2 P36507 1/20 0.32
GPR27 Q9NS67 1/20 0.32

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
SCHEMBL1528166 0.80 DGAT1 (0.66) DGAT1LMNANPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL1484973 0.78 DGAT1 (0.63) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL2897707 0.72 DGAT1 (0.66) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL13234349 0.72 DGAT1 (0.55) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL150293 0.72 DGAT1 (1.00) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL23205445 0.72 DGAT1 (0.55) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL31661821 0.71 DGAT1 (0.53) DGAT1LMNANPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL26618126 0.71 DGAT1 (0.96) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL241516 0.71 DGAT1 (0.53) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL244793 0.69 DGAT1 (0.61) DGAT1LMNANPC1ALDH1A1RAB9A

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-2023125845-A1 HETEROAROMATIC BICYCLIC COMPOUND AND ANTIVIRAL APPLICATION THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed