SCHEMBL9745301

SCHEMBL9745301

O=C(C1CSC(c2cccnc2)N1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.61
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ HTT P42858 1/20 0.49

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
SCHEMBL9743978 0.88 PTAFR (0.62) PTAFRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9819751 0.85 PTAFR (0.66) PTAFRKDM4EALDH1A1
SCHEMBL9744482 0.83 PTAFR (0.66) PTAFRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9819758 0.82 KDM4E (0.68) PTAFRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9819953 0.81 PTAFR (0.67) PTAFRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9819863 0.81 KDM4E (0.67) PTAFRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9819906 0.80 KDM4E (0.65) PTAFRKDM4EALDH1A1
SCHEMBL9819838 0.79 KDM4E (0.64) PTAFRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9819870 0.78 PTAFR (0.77) PTAFRKDM4EALDH1A1
SCHEMBL9744486 0.77 PTAFR (0.67) PTAFRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5144035-A Chemical intermediates for platelet activating factor antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-09-01 — — US disclosed
Send feedback