SCHEMBL29508404

SCHEMBL29508404

CCC[C@@H](Nc1c([N+](=O)[O-])cnc2ccccc12)C(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LRRK2 Q5S007 1/20 0.34
PKM P14618 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
MAOA P21397 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL22749326 1.00 MAPT (0.37) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL22749325 1.00 MAPT (0.37) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL22749267 0.94 MAPT (0.36) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL22749268 0.94 MAPT (0.36) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL29508422 0.94 MAPT (0.36) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL29508411 0.91 MAPT (0.40) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL22749316 0.91 MAPT (0.40) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL22749318 0.91 MAPT (0.40) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL22749265 0.88 MAPT (0.38) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL22749266 0.88 MAPT (0.38) MAPTSMN1; SMN2MEN1KMT2AMAPK1

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
EP-3980415-A1 N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2022-04-13 EP disclosed