SCHEMBL10557407

SCHEMBL10557407

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ P2RX3 P56373 13/20 0.44
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ MAPT P10636 2/20 0.39

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
SCHEMBL10559207 0.90 P2RX3 (0.49) P2RX3
SCHEMBL9196438 0.89 P2RX3 (0.44) MEN1KMT2AP2RX3TP53LMNA
SCHEMBL10560072 0.82 P2RX3 (0.45) P2RX3TP53LMNATHRBKDM4E
SCHEMBL9196436 0.81 P2RX3 (0.44) P2RX3TP53LMNATHRBKDM4E
SCHEMBL10559101 0.81 P2RX3 (0.47) P2RX3TP53LMNATHRBKDM4E
SCHEMBL9196053 0.80 ALDH1A1 (0.44) P2RX3HPGD
SCHEMBL9202880 0.79 P2RX3 (0.49) P2RX3
SCHEMBL9202886 0.73 ALDH1A1 (0.38) MEN1KMT2AP2RX3KDM4EHTT
SCHEMBL10559203 0.71 P2RX3 (0.49) P2RX3
SCHEMBL9196048 0.71 P2RX3 (0.43) P2RX3HPGDADORA3

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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