SCHEMBL4743774

SCHEMBL4743774

CN(C)CCCNc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ MAPT P10636 6/20 0.61
▸ PKM P14618 1/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ LMNA P02545 1/20 0.56
▸ ALPG P10696 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ FERMT2 Q96AC1 1/20 0.50
▸ KAT2B Q92831 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ RAD52 P43351 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ ADRA2B P18089 1/20 0.44

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
SCHEMBL5352344 0.92 ALDH1A1 (0.80) ALDH1A1NPSR1MAPTPKMSMN1; SMN2
SCHEMBL7973719 0.89 ALDH1A1 (0.85) ALDH1A1NPSR1MAPTPKMSMN1; SMN2
SCHEMBL11048929 0.85 MAPT (0.65) ALDH1A1NPSR1MAPTPKMSMN1; SMN2
SCHEMBL17678158 0.84 SMN1; SMN2 (0.57) ALDH1A1NPSR1MAPTPKMSMN1; SMN2
SCHEMBL7767318 0.82 MAPT (0.62) ALDH1A1NPSR1MAPTPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL9760520 0.82 SMN1; SMN2 (0.55) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA
SCHEMBL1520169 0.81 MAPT (0.64) ALDH1A1NPSR1MAPTPKMSMN1; SMN2
SCHEMBL741469 0.81 MAPT (0.70) ALDH1A1NPSR1MAPTPKMSMN1; SMN2
SCHEMBL17749591 0.81 MAPT (0.61) ALDH1A1NPSR1MAPTPKMSMN1; SMN2
SCHEMBL7973853 0.80 KAT2B (0.66) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA

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
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 — — WO disclosed
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 — — WO disclosed
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