SCHEMBL29855977

SCHEMBL29855977

CCCC(=O)NC(c1cccc(C(=O)O)c1)c1cc(C)c2cccnc2c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 4/20 0.59
▸ HSP90AA1 P07900 8/20 0.58
▸ RAB9A P51151 8/20 0.58
▸ KMT2A Q03164 8/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ L3MBTL1 Q9Y468 4/20 0.58
▸ KDM4E B2RXH2 8/20 0.58
▸ ALOX12 P18054 6/20 0.58
▸ TDP1 Q9NUW8 7/20 0.56
▸ LMNA P02545 5/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ MITF O75030 1/20 0.56
▸ KDM1A O60341 1/20 0.55
▸ HTT P42858 5/20 0.55
▸ HSPA5 P11021 1/20 0.55
▸ MEN1 O00255 5/20 0.54
▸ TP53 P04637 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ TSHR P16473 1/20 0.54

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
SCHEMBL30876661 0.90 KDM4E (0.70) ADAMTS5HSP90AA1RAB9AKMT2ANPC1
SCHEMBL29856106 0.88 HSP90AA1 (0.55) HSP90AA1RAB9AKMT2ANPC1L3MBTL1
SCHEMBL24634687 0.86 RAB9A (0.60) ADAMTS5HSP90AA1RAB9AKMT2ANPC1
SCHEMBL29855994 0.86 RAB9A (0.60) ADAMTS5HSP90AA1RAB9AKMT2ANPC1
SCHEMBL30876601 0.85 HSP90AA1 (0.58) ADAMTS5HSP90AA1RAB9AKMT2ANPC1
SCHEMBL24634712 0.85 HSP90AA1 (0.58) ADAMTS5HSP90AA1RAB9AKMT2ANPC1
SCHEMBL30876592 0.85 KDM1A (0.68) ADAMTS5HSP90AA1RAB9AKMT2ANPC1
SCHEMBL27196517 0.85 KDM1A (0.68) ADAMTS5HSP90AA1RAB9AKMT2ANPC1
SCHEMBL30876568 0.82 KDM4E (0.52) ADAMTS5HSP90AA1RAB9AKMT2ANPC1
SCHEMBL27196448 0.82 KDM4E (0.52) ADAMTS5HSP90AA1RAB9AKMT2ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288416-A2 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF The Regents Of The University Of Michigan (US) 2023-12-13 — — EP disclosed
WO-2022169834-A2 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-08-11 — — WO disclosed
Send feedback