SCHEMBL29953624

SCHEMBL29953624

O=Cc1c[nH]c2nccc([N+](=O)[O-])c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MET P08581 1/20 0.39
ERN1 O75460 5/20 0.37
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 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
SCHEMBL29955671 0.88 KMT2A (0.43) KMT2AMETERN1NPC1ALDH1A1
SCHEMBL29957196 0.79 KMT2A (0.56) KMT2ALRRK2CYP2A6IMPDH2
SCHEMBL2882516 0.78 AXL (0.41) METNPC1ALDH1A1RAB9AMAPT
SCHEMBL14158703 0.78 MET (0.40) KMT2AMETNPC1ALDH1A1RAB9A
SCHEMBL857522 0.78 LRRK2 (0.53) KMT2ACYP3A4LRRK2CYP2A6IMPDH2
SCHEMBL4530465 0.78 LRRK2 (0.53) KMT2ACYP3A4LRRK2CYP2A6IMPDH2
SCHEMBL858934 0.75 LRRK2 (0.50) KMT2AMETALDH1A1MEN1TDP1
SCHEMBL17843962 0.74 KMT2A (0.51) KMT2AALDH1A1LRRK2CYP2A6
SCHEMBL29952362 0.74 KMT2A (0.51) KMT2AERN1LRRK2CYP2A6IMPDH2
SCHEMBL29958099 0.74 KMT2A (0.51) KMT2AERN1NPC1RAB9AMEN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed