SCHEMBL10564399

SCHEMBL10564399

CCCn1c(=O)cc(NN)n(Cc2ccc(F)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RGS4 P49798 2/20 0.44
▸ RGS8 P57771 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ P2RX3 P56373 9/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GRIA2 P42262 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL10560334 0.87 P2RX3 (0.43) P2RX3
SCHEMBL9197469 0.87 HPGD (0.51) KMT2AP2RX3MEN1
SCHEMBL10559533 0.85 P2RX3 (0.42) P2RX3HTT
SCHEMBL10501681 0.82 ALDH1A1 (0.41) P2RX3ALDH1A1MAPT
SCHEMBL10559101 0.81 P2RX3 (0.47) P2RX3LMNATP53HTTMAPT
SCHEMBL10559972 0.81 ADRA2A (0.47) P2RX3
SCHEMBL10561004 0.80 HPGD (0.49) KMT2AP2RX3SMN1; SMN2ALDH1A1ATM
SCHEMBL10558278 0.78 PROKR1 (0.49) KMT2AP2RX3ALDH1A1TP53MAPT
SCHEMBL10557859 0.78 ADORA3 (0.46) KMT2AP2RX3HTTMEN1
SCHEMBL10562559 0.78 KMT2A (0.47) KMT2AP2RX3ALDH1A1LMNAMAPT

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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