SCHEMBL31455388

SCHEMBL31455388

CC(C)(C)OC(=O)Nc1ccc(Nc2cc(C(C)(C)C)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.46
MAPK1 P28482 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GLA P06280 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH3A1 P30838 2/20 0.41
FBP1 P09467 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL31455424 0.86 NPC1 (0.44) PRMT1MAPK1NPC1RAB9AALDH1A1
SCHEMBL31144715 0.86 PRMT1 (0.46) PRMT1MAPK1NPC1RAB9AALDH1A1
SCHEMBL31455489 0.86 PRMT1 (0.46) PRMT1NPC1RAB9AALDH1A1HTT
SCHEMBL30573735 0.80 ALDH1A1 (0.64) MAPK1NPC1RAB9AALDH1A1GLA
SCHEMBL12207039 0.79 HTT (0.52) PRMT1MAPK1NPC1RAB9AALDH1A1
SCHEMBL31455242 0.78 MAPT (0.61) MAPK1ALDH1A1HTTMAPTLMNA
SCHEMBL31455743 0.78 MAPK1 (0.48) MAPK1FBP1MEN1KMT2AAKR1B1
SCHEMBL31144701 0.76 EGFR (0.43) ALDH1A1MAPTFBP1MEN1KMT2A
SCHEMBL10176299 0.76 SMN1; SMN2 (0.54) MAPK1NPC1RAB9AHTTMAPT
SCHEMBL20045617 0.76 RAB9A (0.60) PRMT1MAPK1NPC1RAB9AALDH1A1

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed