SCHEMBL31455134

SCHEMBL31455134

Cc1nc(Nc2cc(-c3ccccn3)ccc2[N+](=O)[O-])ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 7/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
PRKCA P17252 1/20 0.38
ATM Q13315 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 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
SCHEMBL31455383 0.83 MAPT (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8302605 0.76 MAPT (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13736898 0.76 MAPT (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL31455538 0.74 ABL1 (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL25877483 0.73 MAPT (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL31455452 0.72 ABCG2 (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12643379 0.71 MAPT (0.69) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6832746 0.70 MEN1 (0.61) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL31455238 0.69 TDP1 (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL18553627 0.68 MAPT (0.46) MEN1KMT2AMAPTNPC1RAB9A

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