SCHEMBL7832560

SCHEMBL7832560

COc1ccc(-c2c(C(=O)O)c(CSc3ncccc3O)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ FABP3 P05413 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL7831725 0.90 SLC10A2 (0.47) SYKALDH1A1KDM4EMAPTRXFP1
SCHEMBL7834035 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7836104 0.80 FABP3 (0.44) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7829964 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14917022 0.79 PDE5A (0.48) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8121664 0.78 FABP3 (0.53) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7831401 0.78 SMN1; SMN2 (0.54) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7833827 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7835953 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7821085 0.78 MAPT (0.44) TDP1ALDH1A1KDM4EMEN1KMT2A

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
EP-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP claimed
Send feedback