SCHEMBL7820993

SCHEMBL7820993

CCOC(=O)c1c(C[S+]([O-])c2nc3ccccc3[nH]2)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
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43
▸ TUBA4A P68366 2/20 0.43
▸ TUBB4B P68371 2/20 0.43
▸ TUBB3 Q13509 2/20 0.43
▸ TUBB2A Q13885 2/20 0.43
▸ TUBB8 Q3ZCM7 2/20 0.43
▸ TUBA3E Q6PEY2 2/20 0.43
▸ TUBA1A Q71U36 2/20 0.43
▸ TUBA1C Q9BQE3 2/20 0.43
▸ TUBB6 Q9BUF5 2/20 0.43
▸ TUBB2B Q9BVA1 2/20 0.43
▸ TUBB1 Q9H4B7 2/20 0.43
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ AMY1A P0DUB6 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7830294 0.90 AMY1A (0.40) MAPTKDM4EAMY1AALDH1A1POLB
SCHEMBL7829702 0.82 SMN1; SMN2 (0.51) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8132332 0.82 SLC10A2 (0.46) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8495782 0.79 SLC10A2 (0.43) SLC10A2MAPTKDM4EAMY1AALDH1A1
SCHEMBL7832428 0.78 SLC10A2 (0.47) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8491270 0.77 AMY1A (0.39) MAPTKDM4EAMY1APOLBSMN1; SMN2
SCHEMBL7810639 0.77 SLC10A2 (0.56) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7824433 0.77 KDM4E (0.58) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7811698 0.77 SLC10A2 (0.56) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7836205 0.77 TUBB4A (0.44) SLC10A2TUBB4ATUBBTUBA3CTUBA1B

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 10 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
EP-0634169-B1 Quinoline or quinazoline derivatives and their use in the manufacture of a medicament for the treatment of osteoporosis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-01-05 — — EP disclosed
US-5948782-A ANTIINFLAMMATORY AGENT; RHEUMATIC DISEASES TAKEDA CHEMICAL (JP) 1999-09-07 — — US disclosed
US-5852039-A Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-22 — — US disclosed
US-5719157-A OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-17 — — US disclosed
EP-0634169-A1 Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-18 — — 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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