SCHEMBL7831847

SCHEMBL7831847

CCOC(=O)c1c(CSc2nc3cc(F)ccc3[nH]2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 2/20 0.45
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 3/20 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
SCHEMBL7833295 0.94 SLC10A2 (0.45) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7833366 0.90 MAPT (0.42) SMN1; SMN2KMT2AMAPTALDH1A1ENPP1
SCHEMBL7829702 0.90 SMN1; SMN2 (0.51) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7833380 0.84 AMY1A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7834185 0.83 MAPK1 (0.49) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7821607 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AKDM4EMAPTALDH1A1
SCHEMBL8734614 0.82 SLC10A2 (0.48) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7829897 0.82 SLC10A2 (0.48) SLC10A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7831401 0.80 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AKDM4EMAPTALDH1A1
SCHEMBL7829696 0.79 SLC10A2 (0.49) 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 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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