SCHEMBL7580355

SCHEMBL7580355

C[N]Cc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
NR4A1 P22736 1/20 0.53
APEX1 P27695 1/20 0.53
APOBEC3A P31941 1/20 0.53
RECQL P46063 1/20 0.53
HIF1A Q16665 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL27406387 0.80 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
Terephthalic Acid SCHEMBL1243625 0.75 TSHR (0.80) ALDH1A1SMN1; SMN2TSHRTP53SRD5A2
SCHEMBL27657933 0.75 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL27700157 0.75 CA1 (0.64) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL40281 0.75 CA1 (0.64) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL19901 0.75 ALDH1A1 (1.00) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL1330795 0.75 ALDH1A1 (1.00) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL1330335 0.75 ALDH1A1 (1.00) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL68390 0.74 SRD5A2 (0.69) ALDH1A1KMT2ATSHRTP53SRD5A2
SCHEMBL70166 0.74 TSHR (0.67) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957135-B1 Water-soluble halotriazine-containing azo compounds, preparation thereof and use thereof as dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-09-25 EP disclosed
US-6022956-A Water-soluble halotriazine-containing axo compounds, preparation thereof and use thereof as dyes DY STAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2000-02-08 US disclosed
EP-0957135-A1 Water-soluble halotriazine-containing azo compounds, preparation thereof and use thereof as dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1999-11-17 EP disclosed