SCHEMBL14155437

SCHEMBL14155437

CCNC(=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
NPC1 O15118 3/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TPMT P51580 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 3/20 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
SCHEMBL6603361 0.88 POLB (0.46) POLBNPC1CYP3A4MEN1KMT2A
SCHEMBL16106219 0.87 CTSD (0.44) POLBNPC1CYP3A4MEN1KMT2A
SCHEMBL1303020 0.83 ALDH1A1 (0.46) NPC1MEN1KMT2AALDH1A1HTT
SCHEMBL16106448 0.82 KMT2A (0.49) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL16106449 0.82 KMT2A (0.49) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL689245 0.81 TPMT (0.51) NPC1MEN1KMT2AALDH1A1HTT
SCHEMBL1599294 0.81 ALDH1A1 (0.48) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL4948393 0.81 HPGD (0.38) POLBNPC1CYP3A4MEN1KMT2A
SCHEMBL4948604 0.81 ALDH1A1 (0.43) POLBNPC1CYP3A4MEN1KMT2A
SCHEMBL1900976 0.80 ALDH1A1 (0.45) POLBNPC1CYP3A4MEN1KMT2A

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-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed