SCHEMBL9840189

SCHEMBL9840189

COc1cc(OC(=O)c2ccc(NC(=N)N)cc2)cc(OC(=O)c2ccc(NC(=N)N)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 3/20 0.51
▸ PLG P00747 1/20 0.51
▸ KMT2A Q03164 10/20 0.50
▸ MEN1 O00255 8/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ F2 P00734 1/20 0.48
▸ F10 P00742 1/20 0.48
▸ PLAT P00750 1/20 0.48
▸ ACR P10323 4/20 0.48
▸ PRSS1 P07477 3/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL7328271 0.85 ACR (0.58) KMT2AMEN1MAPTKDM4EACR
SCHEMBL10956570 0.85 KMT2A (0.56) KMT2AMEN1MAPTKDM4EF2
Hydrochloric Acid SCHEMBL7330789 0.84 ACR (0.59) KMT2AMEN1MAPTKDM4EACR
SCHEMBL4066290 0.81 MEN1 (0.62) KMT2AMEN1MAPTKDM4EF2
SCHEMBL27671251 0.81 PRSS1 (0.62) PLAUKMT2AMEN1MAPTKDM4E
SCHEMBL3675089 0.81 KMT2A (0.69) KMT2AMEN1MAPTKDM4EACR
SCHEMBL11316711 0.81 PARP10 (0.61) PLAUPLGKMT2AMEN1F2
SCHEMBL4104661 0.81 KMT2A (0.59) PLAUKMT2AMEN1MAPTACR
SCHEMBL7319794 0.80 KMT2A (0.50) PLAUPLGKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL7321119 0.80 PRSS1 (0.70) KMT2AMEN1MAPTKDM4EACR

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
US-5077428-A Antiinflammatory agents ONO PHARMACEUTICAL CO., LTD. (JP) 1991-12-31 — — US claimed
Send feedback