SCHEMBL7839707

SCHEMBL7839707

COc1ccc(-c2c(C(=O)O)c(CSc3cccc4nncn34)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35
▸ TUBB6 Q9BUF5 1/20 0.35
▸ TUBB2B Q9BVA1 1/20 0.35
▸ TUBB1 Q9H4B7 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL7829756 0.91 SLC10A2 (0.44) BRD4POLBTUBB4ATUBBTUBA3C
SCHEMBL7822008 0.82 RECQL (0.47) KMT2APOLBTSHRMAPK1ALDH1A1
SCHEMBL7836104 0.76 FABP3 (0.44) KMT2ASMN1; SMN2ALDH1A1NPC1FABP3
SCHEMBL14917022 0.76 PDE5A (0.48) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9414070 0.76 ALDH1A1 (0.41) KMT2ASMN1; SMN2MAPK1ALDH1A1NPC1
SCHEMBL7834035 0.75 ALDH1A1 (0.44) KMT2APOLBSMN1; SMN2TSHRMAPK1
SCHEMBL7832560 0.75 TDP1 (0.40) KMT2ASMN1; SMN2TSHRALDH1A1FABP3
SCHEMBL8121664 0.75 FABP3 (0.53) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7833827 0.75 ALDH1A1 (0.46) KMT2APOLBTUBB4ATUBBTUBA3C
SCHEMBL7831401 0.75 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2ALDH1A1NPC1KDM4E

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 1 patent. 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
Send feedback