SCHEMBL9365921

SCHEMBL9365921

O=C(NCc1cnc2ccccc2n1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PDE10A Q9Y233 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HPGDS O60760 1/20 0.49
▸ KDR P35968 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ KMT2A Q03164 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
SCHEMBL5791965 0.76 P2RX3 (0.53) KDM4EHPGDNPC1POLBRAB9A
SCHEMBL18495300 0.75 HPGD (0.51) KDM4EHPGDNPC1POLBRAB9A
SCHEMBL166484 0.74 LMNA (0.82) KDM4EHPGDNPC1POLBRAB9A
SCHEMBL10095302 0.74 VNN1 (0.62) KDM4EHPGDNPC1POLBRAB9A
SCHEMBL25412037 0.74 PDE10A (0.60) KDM4EHPGDNPC1RAB9APDE10A
Hydrochloric Acid SCHEMBL27843329 0.73 LMNA (0.80) KDM4EHPGDNPC1POLBRAB9A
SCHEMBL9733209 0.72 PDE10A (0.62) KDM4EPOLBPDE10AGAAKMT2A
SCHEMBL7723002 0.72 HTT (0.67) HPGDNPC1POLBRAB9AGAA
SCHEMBL6006695 0.71 PDE10A (0.56) KDM4EHPGDPOLBPDE10AGAA
SCHEMBL5709396 0.71 PDE10A (0.67) KDM4EHPGDNPC1RAB9APDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 — — EP disclosed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 — — EP disclosed
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