SCHEMBL7833290

SCHEMBL7833290

CCOC(=O)c1c(CSc2nc3ccccc3s2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 2/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ GLA P06280 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL7833827 0.90 ALDH1A1 (0.46) LMNAMEN1KMT2APOLBHTT
SCHEMBL7829702 0.82 SMN1; SMN2 (0.51) SLC10A2LMNAMEN1KMT2APOLB
SCHEMBL7834185 0.81 MAPK1 (0.49) SLC10A2LMNAMEN1KMT2APOLB
SCHEMBL7829696 0.80 SLC10A2 (0.49) SLC10A2MEN1KMT2AHTTKDM4E
SCHEMBL7831617 0.80 SLC10A2 (0.47) SLC10A2LMNAMEN1KMT2AHTT
SCHEMBL7819541 0.80 SLC10A2 (0.55) SLC10A2MEN1KMT2APOLBHTT
SCHEMBL7831725 0.79 SLC10A2 (0.47) SLC10A2HTTKDM4EALDH1A1MAPT
SCHEMBL8734614 0.79 SLC10A2 (0.48) SLC10A2MEN1KMT2AHTTKDM4E
SCHEMBL7824433 0.78 KDM4E (0.58) SLC10A2LMNAMEN1KMT2APOLB
SCHEMBL7810639 0.78 SLC10A2 (0.56) SLC10A2LMNAMEN1KMT2APOLB

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-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP claimed
EP-0567107-A1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 — — EP claimed
EP-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP disclosed
EP-0567107-A1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 — — EP disclosed
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