SCHEMBL23486003

SCHEMBL23486003

COc1ccc(CSc2ccc3nc4ccc([N+](=O)[O-])cc4c(NCCCO)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MAPT P10636 4/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL23458122 0.83 HPGD (0.53) SMN1; SMN2HPGDKMT2AALDH1A1LMNA
SCHEMBL23486013 0.82 MEN1 (0.47) SMN1; SMN2HPGDKMT2AMEN1NPC1
SCHEMBL23485855 0.77 HPGD (0.51) SMN1; SMN2HPGDKMT2AALDH1A1ADORA2A
SCHEMBL23486000 0.75 SMN1; SMN2 (0.57) SMN1; SMN2HPGDKMT2AMEN1MAPT
SCHEMBL23485749 0.74 SMN1; SMN2 (0.48) SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL23458107 0.71 SMN1; SMN2 (0.53) SMN1; SMN2HPGDKMT2AALDH1A1LMNA
SCHEMBL28070731 0.71 APP (0.60) SMN1; SMN2HPGDKMT2AMEN1NPC1
SCHEMBL2914278 0.71 ADORA2A (0.61) SMN1; SMN2HPGDKMT2AMEN1RAB9A
SCHEMBL23485973 0.71 SMN1; SMN2 (0.53) SMN1; SMN2HPGDKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL2922562 0.70 ADORA2A (0.60) SMN1; SMN2HPGDADORA2A

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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