SCHEMBL25057015

SCHEMBL25057015

N#Cc1cc(NCCNC(N)=O)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.46
▸ MAPT P10636 1/20 0.42
▸ AR P10275 6/20 0.42
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ GCGR P47871 2/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL20964521 0.87 RECQL (0.47) SLC22A12MAPTAR
SCHEMBL22722443 0.84 SLC22A12 (0.44) SLC22A12MAPTARGCGR
SCHEMBL22722417 0.77 SLC22A12 (0.46) SLC22A12AR
SCHEMBL27359796 0.76 AR (0.56) SLC22A12MAPTAR
SCHEMBL31448688 0.76 AR (0.56) SLC22A12MAPTAR
SCHEMBL25057145 0.74 SAE1 (0.45) MAPT
SCHEMBL546977 0.72 SLC22A12 (0.56) SLC22A12ARTAS2R14
SCHEMBL546976 0.71 SLC22A12 (0.55) SLC22A12MAPTARTAS2R14
SCHEMBL28302544 0.71 SCN9A (0.46) SLC22A12ARRXRARXRBRXRG
SCHEMBL20702470 0.69 SLC22A12 (0.49) SLC22A12ARTAS2R14

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-3471729-B1 ISOXAZOLMETHYLTHIO-, THIENYLMETHYLTHIO- AND THIAZOMETHYLTHIO-DERIVATIVES FOR USE IN THE TREATMENT OF CANCER; VIRAL INFECTIONS; THROMBOTIC EVENTS OR PLATELET AGGREGATION UNIV RUTGERS (US) 2023-02-22 — — EP disclosed
Send feedback