SCHEMBL31488935

SCHEMBL31488935

O=C(Nc1ccc([N+](=O)[O-])cc1)N1Cc2cc(F)cc(F)c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
RAB9A P51151 3/20 0.55
GAA P10253 1/20 0.53
NAMPT P43490 6/20 0.48
CHEK1 O14757 1/20 0.48
ABL1 P00519 1/20 0.48
MET P08581 1/20 0.48
PIM1 P11309 1/20 0.48
FGFR1 P11362 1/20 0.48
LTK P29376 1/20 0.48
MAPK8 P45983 1/20 0.48
CDK8 P49336 1/20 0.48
GSK3B P49841 1/20 0.48
CDK9 P50750 1/20 0.48
NEK2 P51955 1/20 0.48
ACVR1 Q04771 1/20 0.48
MAP4K2 Q12851 1/20 0.48
PRKAA1 Q13131 1/20 0.48
MAPK14 Q16539 1/20 0.48

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
SCHEMBL31489085 0.83 TAS1R3 (0.46) RAB9ANAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL31488876 0.80 MEN1 (0.53) MEN1KMT2ARAB9AGAANAMPT
SCHEMBL31489000 0.79 NAMPT (0.51) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL3710550 0.79 MEN1 (0.82) MEN1KMT2ARAB9AGAANAMPT
SCHEMBL31488795 0.77 NAMPT (0.67) NAMPT
Hydrochloric Acid SCHEMBL31488963 0.76 NAMPT (0.66) NAMPT
SCHEMBL31489143 0.76 NAMPT (0.42) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL31488821 0.76 NAMPT (0.52) RAB9ANAMPTNPC1MAPT
SCHEMBL31488803 0.75 NAMPT (0.69) RAB9ANAMPTNPC1MAPTSMN1; SMN2
SCHEMBL28813844 0.74 GAA (0.85) MEN1KMT2ARAB9AGAANAMPT

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-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed