SCHEMBL19265459

SCHEMBL19265459

CCOC(=O)C1=Cc2cc(OC)c(-c3ccc(C(=O)N4CCCC4)cc3)cc2NC(N=NN)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TLR8 Q9NR97 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL19265579 0.89 TLR8 (0.48) HPGDL3MBTL1HSD17B10TLR8ROCK2
SCHEMBL19265449 0.87 TLR8 (0.41) HPGDL3MBTL1ALDH1A1HSD17B10KMT2A
SCHEMBL19265617 0.87 TLR8 (0.47) HPGDL3MBTL1HSD17B10TLR8
SCHEMBL18771727 0.86 TLR8 (0.42) HPGDL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL19265655 0.84 HPGD (0.35) HPGDL3MBTL1ALDH1A1POLBCYP2C19
SCHEMBL19265668 0.80 HPGD (0.41) HPGDALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL19265647 0.78 PRKCZ (0.37) L3MBTL1ALDH1A1CYP2C19KMT2AHTT
SCHEMBL19265705 0.76 FDFT1 (0.38) HPGDL3MBTL1ALDH1A1POLBHSD17B10
SCHEMBL19265630 0.76 TLR8 (0.36) HPGDL3MBTL1POLBKMT2AHTT
SCHEMBL18771941 0.75 HPGD (0.41) HPGDALDH1A1KMT2ASMN1; SMN2TLR8

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-3207930-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 — — EP disclosed
Send feedback