SCHEMBL9795607

SCHEMBL9795607

O=[N+]([O-])c1ccccc1C1=C(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
GPR35 Q9HC97 2/20 0.47
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
CASP6 P55212 1/20 0.42
PTPN1 P18031 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
S100A4 P26447 2/20 0.42
PTPRC P08575 1/20 0.42
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL16266222 0.78 ALDH1A1 (0.47) ALDH1A1TDP1GPR35MAPTPOLB
SCHEMBL1287837 0.76 ALDH1A1 (0.74) ALDH1A1TDP1GPR35PTPN1KMT2A
SCHEMBL30535903 0.76 ALDH1A1 (0.74) ALDH1A1TDP1GPR35PTPN1KMT2A
SCHEMBL8993582 0.75 ALDH1A1 (0.61) ALDH1A1TDP1GPR35MAPTPTPN1
SCHEMBL30987815 0.74 ALDH1A1 (0.71) ALDH1A1TDP1GPR35PTPN1KMT2A
SCHEMBL29337140 0.74 ALDH1A1 (0.71) ALDH1A1TDP1GPR35PTPN1KMT2A
Ammonia Solution, Strong SCHEMBL9060371 0.74 ALDH1A1 (0.71) ALDH1A1TDP1GPR35PTPN1KMT2A
SCHEMBL5707256 0.73 ALDH1A1 (0.59) ALDH1A1TDP1GPR35MAPTPOLB
SCHEMBL25783900 0.73 GPR35 (0.65) ALDH1A1TDP1GPR35MAPTPOLB
SCHEMBL13290018 0.71 KMT2A (0.56) ALDH1A1TDP1GPR35MAPTPOLB

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-5004661-A Photoconductive member having symmetrical and unsymmetrical squaraine compositions XEROX CORPORATION (US) 1991-04-02 US disclosed