SCHEMBL7830591

SCHEMBL7830591

CCOC(=O)c1c(CSc2nncn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 2/20 0.47
▸ RECQL P46063 1/20 0.44
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 1/20 0.43
▸ TUBA1A Q71U36 1/20 0.43
▸ TUBA1C Q9BQE3 1/20 0.43
▸ TUBB6 Q9BUF5 1/20 0.43
▸ TUBB2B Q9BVA1 1/20 0.43
▸ TUBB1 Q9H4B7 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 2/20 0.41
▸ KMT2A Q03164 1/20 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
SCHEMBL7822008 0.90 RECQL (0.47) RECQLALDH1A1GAAKMT2ARAB9A
SCHEMBL7830610 0.87 SLC10A2 (0.47) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7830548 0.85 SLC10A2 (0.46) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL8138537 0.85 SLC10A2 (0.46) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7829756 0.83 SLC10A2 (0.44) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8132030 0.83 SLC10A2 (0.46) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7829696 0.81 SLC10A2 (0.49) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7819610 0.81 SLC10A2 (0.52) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9563414 0.80 ALDH1A1 (0.41) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7821036 0.80 MAPT (0.40) SLC10A2ALDH1A1GAAKMT2ARAB9A

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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