SCHEMBL30808005

SCHEMBL30808005

Cc1cc(N)c([N+](=O)[O-])cc1NCCN

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.54
KAT2B Q92831 7/20 0.49
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR6 P50406 1/20 0.44
CYP2D6 P10635 1/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL112790 1.00 MAPT (0.54) MAPTALDH1A1KAT2BLMNAKMT2A
Bromide SCHEMBL10714879 0.97 MAPT (0.51) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL11056017 0.91 KAT2B (0.60) MAPTALDH1A1KAT2BLMNA
SCHEMBL11056141 0.88 MAPT (0.54) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL6151634 0.87 MAPT (0.52) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL29391950 0.87 MAPT (0.52) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL111935 0.87 MAPT (0.52) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL11054352 0.84 MAPT (0.49) MAPTALDH1A1LMNAKMT2ATSHR
SCHEMBL11059627 0.84 MAPT (0.50) MAPTALDH1A1KAT2BLMNA
SCHEMBL21810594 0.83 MAPT (0.52) MAPTALDH1A1KAT2BLMNAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229918-B1 COMPOSITION AND PROCEDURE FOR TREATING KERATINIC FIBERS WITH FLASH EVAPORATION HENKEL AG & CO KGAA (DE) 2024-03-13 EP disclosed