SCHEMBL11745671

SCHEMBL11745671

Cc1c([N+](=O)[O-])c(Cl)nn1CO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 4/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11751104 0.84 POLB (0.42) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL8657291 0.82 HTT (0.57) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL3824357 0.79 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL9202274 0.74 PKM (0.47) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL25174156 0.73 L3MBTL1 (0.34) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL25173936 0.70 KMT2A (0.33) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL12479809 0.69 HTT (0.55) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL28848236 0.67 ALDH1A1 (0.40) SMN1; SMN2KMT2AMEN1HTTPOLB
SCHEMBL13306214 0.65 HTT (0.46) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL8951990 0.64 PKM (0.44) SMN1; SMN2NPC1RAB9AHTTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4025530-A ABSCISSION OF FRUIT ABBOTT LABORATORIES (US) 1977-05-24 US disclosed
US-3932453-A PLANT GROWTH REGULATORS ABBOTT LABORATORIES (US) 1976-01-13 US disclosed