SCHEMBL23486000

SCHEMBL23486000

O=[N+]([O-])c1ccc2nc3ccc(Br)cc3c(NCCCO)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ KMT2A Q03164 5/20 0.48
▸ ATM Q13315 1/20 0.48
▸ POLB P06746 4/20 0.48
▸ RAD52 P43351 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ NLRP3 Q96P20 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ TNF P01375 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43

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
SCHEMBL23485973 0.95 SMN1; SMN2 (0.53) SMN1; SMN2HPGDKMT2AATMPOLB
SCHEMBL23458122 0.82 HPGD (0.53) SMN1; SMN2HPGDKMT2APOLBRAD52
SCHEMBL23458107 0.82 SMN1; SMN2 (0.53) SMN1; SMN2HPGDKMT2APOLBRAD52
SCHEMBL23485979 0.80 HPGD (0.51) SMN1; SMN2HPGDPOLBRAD52ALDH1A1
SCHEMBL23485855 0.80 HPGD (0.51) SMN1; SMN2HPGDKMT2APOLBRAD52
SCHEMBL22445094 0.79 KMT2A (0.43) SMN1; SMN2HPGDKMT2AATMPOLB
SCHEMBL23485749 0.77 SMN1; SMN2 (0.48) SMN1; SMN2HPGDPOLBRAD52ALDH1A1
SCHEMBL24995591 0.77 SMN1; SMN2 (0.48) SMN1; SMN2HPGDKMT2APOLBRAD52
SCHEMBL17423304 0.75 KMT2A (0.69) SMN1; SMN2HPGDKMT2APOLBRAD52
SCHEMBL23485748 0.74 ACHE (0.56) SMN1; SMN2KMT2APOLBALDH1A1MAPT

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
US-20230040324-A1 AMINOACRIDINE AND AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2023-02-09 — — US disclosed
WO-2021110280-A1 AMINOACRIDINE AND AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2021-06-10 — — WO disclosed
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