SCHEMBL10559101

SCHEMBL10559101

CCCn1c(=O)cc(NN)n(Cc2cccc(Cl)c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 11/20 0.47
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL9197469 0.89 HPGD (0.51) P2RX3HPGDADORA3ADORA2AADORA1
SCHEMBL10564399 0.81 RGS4 (0.44) P2RX3LMNAHTTMAPTTP53
SCHEMBL10560334 0.81 P2RX3 (0.43) P2RX3HPGDADORA2B
SCHEMBL10559533 0.81 P2RX3 (0.42) P2RX3HTTADORA3
SCHEMBL10561004 0.81 HPGD (0.49) P2RX3LMNAGAAHPGDMAPT
SCHEMBL10557407 0.81 MEN1 (0.47) P2RX3LMNAKDM4EGAAHPGD
SCHEMBL10559972 0.81 ADRA2A (0.47) P2RX3
SCHEMBL10557859 0.80 ADORA3 (0.46) P2RX3KDM4EHTTADORA3
SCHEMBL10562559 0.80 KMT2A (0.47) P2RX3LMNAMAPTADORA2AADORA2B
SCHEMBL10560072 0.79 P2RX3 (0.45) P2RX3LMNAKDM4EGAAHPGD

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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