SCHEMBL9760558

SCHEMBL9760558

O=[N+]([O-])c1cc(O)ccc1NCCBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.49
PRSS1 P07477 4/20 0.49
PKM P14618 3/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KAT2B Q92831 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
CRHBP P24387 1/20 0.45
RAB9A P51151 1/20 0.45
CRHR2 Q13324 1/20 0.45
KCNMA1 Q12791 1/20 0.45
NPY1R P25929 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
SCHEMBL24055 0.86 ALDH1A1 (0.63) HCAR3PRSS1PKMMAPTKMT2A
SCHEMBL29410422 0.86 ALDH1A1 (0.63) HCAR3PRSS1PKMMAPTKMT2A
Bromide SCHEMBL28440810 0.84 ALDH1A1 (0.62) HCAR3PRSS1PKMMAPTKMT2A
SCHEMBL7886392 0.84 KAT2B (0.57) HCAR3PRSS1PKMMAPTKMT2A
SCHEMBL10888166 0.84 HCAR3 (0.68) HCAR3PRSS1PKMMAPTLMNA
SCHEMBL111519 0.83 PRSS1 (0.55) HCAR3PRSS1PKMMAPTPOLB
SCHEMBL6745448 0.83 MAPT (0.59) HCAR3PRSS1PKMMAPTKMT2A
SCHEMBL8509227 0.82 HCAR3 (0.69) HCAR3PRSS1PKMMAPTLMNA
SCHEMBL10891363 0.81 HCAR3 (0.66) HCAR3PKMMAPTKMT2AMEN1
Methoxymethane SCHEMBL7085872 0.81 ALDH1A1 (0.58) HCAR3PKMMAPTKMT2ALMNA

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
US-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed