SCHEMBL20073784

SCHEMBL20073784

CCn1nc([N+](=O)[O-])cc1CO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL25509748 0.87 HTT (0.41) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16794437 0.83 MEN1 (0.40) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14913985 0.81 HTT (0.39) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14917639 0.81 LMNA (0.47) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16622729 0.81 HTT (0.38) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31497522 0.81 HTT (0.38) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL173687 0.81 HTT (0.38) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14912696 0.80 MITF (0.51) HTTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL611566 0.79 HTT (0.38) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL25888930 0.78 MEN1 (0.37) HTTALDH1A1MEN1KMT2ACYP1A2

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-2018071794-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-19 WO disclosed