SCHEMBL19265668

SCHEMBL19265668

COC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2NC(N=NN)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.41
▸ TLR8 Q9NR97 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ BCR P11274 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HRH3 Q9Y5N1 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
SCHEMBL19265449 0.91 TLR8 (0.41) HPGDTLR8MAPK1BRD4CREBBP
SCHEMBL19265630 0.91 TLR8 (0.36) HPGDTLR8MAPK1BRD4CREBBP
SCHEMBL19265534 0.90 POLB (0.39) HPGDTLR8MAPK1BRD4CREBBP
SCHEMBL19265626 0.84 HPGD (0.40) HPGDTLR8MAPK1BRD4CREBBP
SCHEMBL18771941 0.83 HPGD (0.41) HPGDTLR8MAPK1BRD4CREBBP
SCHEMBL18771727 0.83 TLR8 (0.42) HPGDTLR8MAPK1KDM4EALDH1A1
SCHEMBL18771971 0.82 HPGD (0.40) HPGDTLR8MAPK1BRD4CREBBP
SCHEMBL19265655 0.82 HPGD (0.35) HPGDTLR8KDM4EALDH1A1TSHR
SCHEMBL19265459 0.80 HPGD (0.40) HPGDTLR8BRD4CREBBPALDH1A1
SCHEMBL19416476 0.79 TLR8 (0.38) HPGDTLR8MAPK1BRD4CREBBP

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-3208263-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 — — EP disclosed
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