SCHEMBL8992932

SCHEMBL8992932

O=[N+]([O-])c1cc(NCC(O)CO)ccc1NCCO

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
PKM P14618 1/20 0.48
MAPT P10636 6/20 0.46
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.43
PRSS1 P07477 4/20 0.42
HCAR3 P49019 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
GALR3 O60755 1/20 0.42
KAT2B Q92831 1/20 0.40
GLA P06280 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
SCHEMBL9776320 0.95 ALDH1A1 (0.53) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL19666254 0.90 ALDH1A1 (0.54) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL127370 0.86 ALDH1A1 (0.68) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL29392416 0.86 ALDH1A1 (0.68) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL11773301 0.86 HTT (0.56) ALDH1A1TDP1PKMMAPTRAB9A
SCHEMBL8798976 0.84 KMT2A (0.42) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL11772632 0.83 HTT (0.49) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL10534535 0.82 MAPT (0.56) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL9748805 0.81 ALDH1A1 (0.58) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL8645124 0.81 ALDH1A1 (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601302-B1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes WELLA AG (DE) 1996-07-10 EP claimed
EP-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 EP claimed
EP-0601302-B1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes WELLA AG (DE) 1996-07-10 EP disclosed
EP-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 EP disclosed