SCHEMBL11583003

SCHEMBL11583003

N=C(NC(N)=O)Nc1c(F)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
KCNN4 O15554 4/20 0.38
PTGS1 P23219 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
IL2 P60568 1/20 0.36
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
CYP3A4 P08684 1/20 0.35
CD38 P28907 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4098970 0.86 KMT2A (0.46) KMT2AMEN1KDM4EJAK1JAK2
SCHEMBL11089784 0.86 L3MBTL1 (0.47) PTGS2
SCHEMBL23322563 0.85 PTGS2 (0.49) PTGS2KCNN4PTGS1KMT2AALDH1A1
SCHEMBL11578713 0.84 SMN1; SMN2 (0.42) PTGS1KMT2AMEN1KDM4ETRPV1
SCHEMBL11578620 0.84 RIPK1 (0.42) PTGS1KMT2AMEN1KDM4EALDH1A1
SCHEMBL11423813 0.83 PTGS2 (0.43) PTGS2KCNN4KMT2AMEN1KDM4E
SCHEMBL11579645 0.82 PTGS2 (0.41) PTGS2KMT2AMEN1KDM4ETRPV1
SCHEMBL11579402 0.80 ALDH1A1 (0.43) ALDH1A1TRPV1CYP3A4KCNH2
SCHEMBL11582985 0.79 HTT (0.40) KMT2AMEN1JAK1JAK3ALDH1A1
SCHEMBL11090448 0.79 GAA (0.43) PTGS2PTGS1KMT2AMEN1KDM4E

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-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed