SCHEMBL18647162

SCHEMBL18647162

CCc1c(C)cc(-c2ccc(=O)n(C)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.47
▸ TLR4 O00206 2/20 0.43
▸ TLR8 Q9NR97 2/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ CREBBP Q92793 3/20 0.40
▸ BRD9 Q9H8M2 4/20 0.40
▸ BMPR1B O00238 1/20 0.37
▸ BMPR1A P36894 1/20 0.37
▸ ACVRL1 P37023 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ HTR6 P50406 1/20 0.37

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
SCHEMBL18471235 0.82 BRD4 (0.50) BRD4TLR4TLR8TLR9TLR7
SCHEMBL18518471 0.79 ALDH1A1 (0.50) BRD4TLR4TLR8TLR9TLR7
SCHEMBL15262095 0.79 BRD4 (0.47) BRD4TLR4TLR8TLR9TLR7
SCHEMBL18483006 0.77 BRD4 (0.51) BRD4TLR4TLR8TLR9TLR7
SCHEMBL15889927 0.75 BRD4 (0.50) BRD4TLR4TLR8TLR9TLR7
SCHEMBL16573986 0.72 BRD4 (0.50) BRD4CREBBPBMPR1BBMPR1AACVRL1
SCHEMBL24981713 0.72 BRD4 (0.52) BRD4TLR8CREBBPBMPR1BBMPR1A
SCHEMBL1571625 0.72 BRD4 (0.50) BRD4TLR4TLR8TLR9TLR7
SCHEMBL19375140 0.72 CREBBP (0.40) BRD4TLR4TLR8TLR9TLR7
SCHEMBL13680661 0.69 BRD4 (0.64) BRD4CREBBPBMPR1BBMPR1AACVRL1

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
WO-2017042121-A1 [{[2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-2H,3H-FURO[3,2-B]PYRIDIN-3-YL]ACETIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-16 — — WO disclosed
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