SCHEMBL29642602

SCHEMBL29642602

O=[N+]([O-])c1cnc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
RAB9A P51151 7/20 0.53
NPC1 O15118 4/20 0.53
CYP1A2 P05177 2/20 0.51
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
MGAM O43451 1/20 0.47
ALPL P05186 1/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
CASP6 P55212 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL2230388 1.00 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ARAB9ANPC1
Methane SCHEMBL28038323 0.98 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ARAB9ANPC1
Ammonia Solution, Strong SCHEMBL28747081 0.98 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL17796892 0.82 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ARAB9ANPC1
Quinoline SCHEMBL9110133 0.80 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL20557840 0.79 NPC1 (0.66) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL14486805 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL3802331 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL1702192 0.78 MEN1 (0.72) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL4866756 0.77 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ARAB9ANPC1

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
CN-119403567-A AMHR2-ED cancer vaccine formulation 克利夫兰诊所基金会 2025-02-07 CN disclosed
US-11332707-B2 Endophytic fungus from gingko, metabolite product and use thereof DEZHOU UNIVERSITY (CN) 2022-05-17 US disclosed