SCHEMBL7821036

SCHEMBL7821036

CCOC(=O)c1c(CSc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ RGS12 O14924 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLC10A2 Q12908 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL7821104 0.94 NPC1 (0.44) MAPTALDH1A1RGS12SMN1; SMN2SLC10A2
SCHEMBL7830610 0.93 SLC10A2 (0.47) MAPTALDH1A1RGS12SMN1; SMN2SLC10A2
Hydrochloric Acid SCHEMBL8138537 0.92 SLC10A2 (0.46) MAPTALDH1A1RGS12SMN1; SMN2SLC10A2
SCHEMBL7830548 0.92 SLC10A2 (0.46) MAPTALDH1A1RGS12SMN1; SMN2SLC10A2
SCHEMBL7835405 0.91 NPC1 (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7835143 0.88 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2SLC10A2NPC1
SCHEMBL8131246 0.88 MAPT (0.41) MAPTALDH1A1RGS12SMN1; SMN2NPC1
SCHEMBL9563414 0.87 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2SLC10A2NPC1
Hydrochloric Acid SCHEMBL8128915 0.87 MAPT (0.41) MAPTALDH1A1RGS12SMN1; SMN2NPC1
SCHEMBL9563462 0.85 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2SLC10A2NPC1

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 6 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
US-5948782-A ANTIINFLAMMATORY AGENT; RHEUMATIC DISEASES TAKEDA CHEMICAL (JP) 1999-09-07 — — US 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
US-5948782-A ANTIINFLAMMATORY AGENT; RHEUMATIC DISEASES TAKEDA CHEMICAL (JP) 1999-09-07 — — US 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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