SCHEMBL24612210

SCHEMBL24612210

N=C(ON)c1nc(C2CC2)sc1N1CCOCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL28228798 0.80 PIK3CA (0.43) KDM4EHTT
SCHEMBL18412850 0.78 PIK3CA (0.39) KDM4EHTT
SCHEMBL20580048 0.78 ALDH1A1 (0.47) FBP1KDM4EHTT
SCHEMBL18395143 0.78 ALDH1A1 (0.47) KDM4E
SCHEMBL20866838 0.76 ATM (0.32) KDM4E
SCHEMBL24612188 0.76 PIK3CD (0.30) KDM4E
SCHEMBL20866963 0.75 PIK3CD (0.30) KDM4E
SCHEMBL20867257 0.75 SYK (0.31) —
SCHEMBL24612293 0.75 ATM (0.31) KDM4E
SCHEMBL20580222 0.75 ALDH1A1 (0.46) KDM4EHTT

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
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 — — EP disclosed
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