SCHEMBL22022017

SCHEMBL22022017

Cc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2N)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
MAPT P10636 6/20 0.60
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
RAB9A P51151 2/20 0.51
CRHBP P24387 1/20 0.51
CASP3 P42574 1/20 0.51
CRHR2 Q13324 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 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
SCHEMBL22022114 0.93 NPC1 (0.57) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL21963302 0.88 LMNA (0.59) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL22021343 0.87 LMNA (0.49) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL22021733 0.82 LMNA (0.47) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL19924300 0.81 NPC1 (0.52) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL15306485 0.81 KMT2A (0.56) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL19941889 0.80 POLB (0.52) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL8781730 0.77 LMNA (0.57) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL21963292 0.75 LMNA (0.44) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL4326710 0.74 SMN1; SMN2 (0.58) MAPTALDH1A1KMT2AHTTSMN1; SMN2

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-2020102348-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF DIMAGNO STEPHEN (US) 2020-05-22 WO disclosed