SCHEMBL31455424

SCHEMBL31455424

CC(C)(C)OC(=O)Nc1ccc(Nc2cc(C(C)(C)C)ccc2[N+](=O)[O-])cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 3/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 1/20 0.40
PRMT1 Q99873 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
NAMPT P43490 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL31455844 0.88 CYP1A2 (0.41) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL31455388 0.86 PRMT1 (0.46) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL31455150 0.85 ABCB1 (0.44) NPC1RAB9ASMN1; SMN2HDAC1PRMT1
SCHEMBL31455499 0.85 MAPT (0.39) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL31455389 0.85 MEN1 (0.43) MAPTSMN1; SMN2CASP3HTTSENP7
SCHEMBL31455675 0.83 MAPT (0.54) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL31455162 0.81 KMT2A (0.42) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL31455428 0.79 FGFR4 (0.44) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL31455251 0.78 PRMT1 (0.43) NPC1RAB9AMAPTSMN1; SMN2HDAC1
SCHEMBL31455445 0.77 MAPK1 (0.40) NPC1RAB9AMAPTALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed