SCHEMBL30719375

SCHEMBL30719375

O=c1[nH]c(Nc2ccccn2)nc2[nH]c(-c3ccc([N+](=O)[O-])nc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
MITF O75030 1/20 0.36
TDP2 O95551 2/20 0.35
CASP6 P55212 2/20 0.35
APAF1 O14727 1/20 0.35
CDC25B P30305 1/20 0.35
RCE1 Q9Y256 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL30584023 0.74 UGT1A1 (0.33)
SCHEMBL30584032 0.74 UGT1A1 (0.33) PIM1RAB9ANPC1MEN1KMT2A
SCHEMBL29062471 0.74 UGT1A1 (0.33) PIM1RAB9ANPC1MEN1KMT2A
SCHEMBL748172 0.70 MEN1 (0.46) PIM1RAB9ANPC1MEN1KMT2A
SCHEMBL30584031 0.68 PIM1 (0.52) PIM1RAB9ANPC1MEN1KMT2A
SCHEMBL23900739 0.61 MAPT (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL19745758 0.61 MAPT (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL29542640 0.59
SCHEMBL33930 0.59
SCHEMBL913419 0.58 MEN1 (0.69) RAB9ANPC1MEN1KMT2AALDH1A1

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
CN-116425751-B Polycyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2024-01-23 CN disclosed