SCHEMBL8657291

SCHEMBL8657291

Cc1nn(CO)c(C)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.55
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL12479809 0.86 HTT (0.55) HTTPOLBLMNANPC1RAB9A
SCHEMBL11745671 0.82 SMN1; SMN2 (0.43) HTTPOLBLMNANPC1RAB9A
SCHEMBL2760498 0.81 POLB (0.65) HTTPOLBLMNANPC1RAB9A
SCHEMBL18354808 0.80 NPC1 (0.56) HTTPOLBLMNANPC1RAB9A
SCHEMBL16985301 0.80 HTT (0.52) HTTPOLBLMNANPC1RAB9A
SCHEMBL1520529 0.80 POLB (0.63) HTTPOLBLMNANPC1RAB9A
SCHEMBL16943099 0.79 NPC1 (0.55) HTTPOLBLMNANPC1RAB9A
SCHEMBL1521469 0.78 HTT (0.56) HTTPOLBLMNANPC1RAB9A
SCHEMBL10938829 0.77 HTT (0.50) HTTPOLBLMNANPC1RAB9A
SCHEMBL2066583 0.76 NPC1 (0.59) HTTPOLBLMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0467707-A1 Process for the preparation of 1-Hydroxymethylpyrazoles BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1992-01-22 EP claimed
EP-0467708-B1 Control of microorganisms on plants with 1-hydroxymethylpyrazoles BUCKMAN LABOR INC (US) 1998-11-04 EP disclosed
EP-0467707-A1 Process for the preparation of 1-Hydroxymethylpyrazoles BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1992-01-22 EP disclosed