SCHEMBL10560072

SCHEMBL10560072

CCCn1c(=O)cc(NNC(=O)NSC)n(Cc2cccc(Cl)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 15/20 0.45
▸ TP53 P04637 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MAPT P10636 1/20 0.38

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
SCHEMBL9196436 0.91 P2RX3 (0.44) P2RX3TP53THRBLMNAKDM4E
SCHEMBL10559203 0.90 P2RX3 (0.49) P2RX3
SCHEMBL10557407 0.82 MEN1 (0.47) P2RX3TP53THRBLMNAKDM4E
SCHEMBL9196438 0.82 P2RX3 (0.44) P2RX3TP53THRBLMNAKDM4E
SCHEMBL9196048 0.81 P2RX3 (0.43) P2RX3HPGDADORA3
SCHEMBL9202874 0.80 P2RX3 (0.48) P2RX3
SCHEMBL10559101 0.79 P2RX3 (0.47) P2RX3TP53THRBLMNAKDM4E
SCHEMBL9202879 0.74 ALDH1A1 (0.38) P2RX3KDM4EMAPT
SCHEMBL9196053 0.72 ALDH1A1 (0.44) P2RX3HPGD
SCHEMBL10559207 0.72 P2RX3 (0.49) P2RX3

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
US-4824848-A TREATMENT, PREVENTION OF NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-25 — — US disclosed
EP-0237289-A2 Pyrazolo [3,4-d] pyrimidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-16 — — EP disclosed
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