SCHEMBL21964566

SCHEMBL21964566

CSOCc1nn(C)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
RAB9A P51151 1/20 0.33
MITF O75030 1/20 0.33
NPC1 O15118 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
SCHEMBL2183233 0.82 L3MBTL1 (0.42) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL23880174 0.77 L3MBTL1 (0.39) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL1559603 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL28125498 0.75 L3MBTL1 (0.44) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL7686440 0.73 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL18418903 0.72 L3MBTL1 (0.42) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL18049571 0.72 L3MBTL1 (0.42) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL18049623 0.72 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL18418878 0.69 MAPT (0.44) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL21960914 0.68 SMN1; SMN2 (0.42) L3MBTL1ALDH1A1MAPTPOLBCYP2C19

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
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP disclosed