SCHEMBL23485979

SCHEMBL23485979

N#Cc1ccc2nc3ccc([N+](=O)[O-])cc3c(NCCCCCCO)c2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ABCG2 Q9UNQ0 4/20 0.45
▸ POLB P06746 2/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ ACHE P22303 2/20 0.41
▸ RIPK1 Q13546 2/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ KAT2B Q92831 1/20 0.39
▸ RAD51 Q06609 1/20 0.39
▸ MERTK Q12866 1/20 0.38
▸ PIN1 Q13526 1/20 0.38

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 0.85 SMN1; SMN2 (0.53) HPGDSMN1; SMN2POLBRAD52ACHE
SCHEMBL23458134 0.81 NQO2 (0.49) POLBRAD52ALDH1A1MERTK
SCHEMBL23486000 0.80 SMN1; SMN2 (0.57) HPGDSMN1; SMN2POLBRAD52ACHE
SCHEMBL23458122 0.77 HPGD (0.53) HPGDSMN1; SMN2POLBRAD52ACHE
SCHEMBL23458107 0.77 SMN1; SMN2 (0.53) HPGDSMN1; SMN2POLBRAD52ACHE
SCHEMBL23485855 0.74 HPGD (0.51) HPGDSMN1; SMN2POLBRAD52ACHE
SCHEMBL23485983 0.73 MERTK (0.39) ABCG2POLBRAD52ALDH1A1MERTK
SCHEMBL6220073 0.72 KAT2B (0.71) SMN1; SMN2ALDH1A1PKMKAT2B
SCHEMBL23485986 0.72 MERTK (0.39) ABCG2POLBRAD52ALDH1A1MERTK
SCHEMBL17423304 0.72 KMT2A (0.69) HPGDSMN1; SMN2POLBRAD52ACHE

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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