SCHEMBL29670495

SCHEMBL29670495

O=[N+]([O-])c1cc(Br)ccc1NCCO

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
TSHR P16473 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
PKM P14618 2/20 0.55
MAPT P10636 5/20 0.54
RAB9A P51151 3/20 0.51
KMT2A Q03164 1/20 0.50
GALR3 O60755 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.49
PRSS1 P07477 4/20 0.49
HCAR3 P49019 2/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL420259 1.00 ALDH1A1 (0.62) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL6896294 0.91 PRSS1 (0.53) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL17743314 0.88 PRSS1 (0.56) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL420519 0.88 MAPT (0.54) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL26324521 0.84 HCAR3 (0.63) ALDH1A1PKMMAPTRAB9ASMN1; SMN2
SCHEMBL15206115 0.84 APEX1 (0.61) ALDH1A1PKMMAPTRAB9AKMT2A
SCHEMBL563763 0.83 PKM (0.67) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL29410422 0.83 ALDH1A1 (0.63) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL29392416 0.83 ALDH1A1 (0.68) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL24055 0.83 ALDH1A1 (0.63) ALDH1A1TSHRTDP1PKMMAPT

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
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed