SCHEMBL7822008

SCHEMBL7822008

COc1ccc(-c2c(C(=O)O)c(CSc3nncn3C)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 8/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 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
SCHEMBL7830591 0.90 SLC10A2 (0.47) RECQLKMT2AALDH1A1NPC1KDM4E
SCHEMBL7834035 0.86 ALDH1A1 (0.44) KMT2AALDH1A1NPC1KDM4EMAPK1
SCHEMBL7835953 0.83 ALDH1A1 (0.43) KMT2AALDH1A1NPC1KDM4EMAPT
SCHEMBL7839707 0.82 BRD4 (0.37) KMT2AALDH1A1NPC1KDM4EMAPK1
SCHEMBL7836104 0.80 FABP3 (0.44) KMT2AALDH1A1NPC1KDM4EMAPT
SCHEMBL14917022 0.79 PDE5A (0.48) KMT2AALDH1A1NPC1KDM4EMAPT
SCHEMBL9414070 0.79 ALDH1A1 (0.41) KMT2AALDH1A1NPC1KDM4EMAPK1
SCHEMBL7813272 0.79 ALDH1A1 (0.44) KMT2AALDH1A1NPC1KDM4EMAPK1
SCHEMBL8121664 0.78 FABP3 (0.53) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL7835405 0.78 NPC1 (0.41) KMT2AALDH1A1NPC1KDM4EMAPT

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
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