SCHEMBL19090316

SCHEMBL19090316

C=C1NC(=O)N(Cc2ccc(C)cc2)c2nc(CSC3Nc4cc(C(=O)O)ccc4O3)n(CC)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ APEX1 P27695 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ P2RX3 P56373 5/20 0.33
▸ USP2 O75604 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ THRB P10828 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PTPN2 P17706 1/20 0.31

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
SCHEMBL19090311 0.78 MEN1 (0.49) KDM4EALDH1A1MAPTNPSR1PKM
SCHEMBL19090465 0.74 MEN1 (0.39) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL19090407 0.73 P2RX3 (0.36) KDM4EPOLBALDH1A1MAPTAPEX1
SCHEMBL19090462 0.73 P2RX3 (0.35) KDM4EALDH1A1MAPTNPSR1P2RX3
SCHEMBL23730766 0.72 BRD4 (0.52) ALDH1A1APOBEC3GKMT2AGAAHPGD
SCHEMBL19090318 0.72 ELANE (0.41) KDM4EPOLBALDH1A1MAPTL3MBTL1
SCHEMBL19090593 0.70 BRD4 (0.34) —
SCHEMBL19090209 0.69 APOBEC3G (0.47) KDM4EPOLBALDH1A1MAPTPKM
SCHEMBL19090464 0.68 P2RX3 (0.36) KDM4EALDH1A1MAPTP2RX3KMT2A
SCHEMBL19090459 0.68 MEN1 (0.49) POLBALDH1A1MAPTNPSR1KMT2A

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-2017114843-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-07-06 — — WO disclosed
Send feedback