SCHEMBL23112641

SCHEMBL23112641

[N-]=[N+]=NC1(c2ccc(F)cc2)CN(C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN2B Q13224 1/20 0.32
CCR2 P41597 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL23112626 0.81 KMT2A (0.40) HSD11B1KMT2A
SCHEMBL28555238 0.80 RORC (0.44) MEN1KMT2A
SCHEMBL23112518 0.76 LMNA (0.38) HSD11B1MEN1KMT2APOLB
SCHEMBL23112288 0.74 GRIN2B (0.46) HSD11B1GRIN2BPOLB
SCHEMBL23112901 0.73 NNMT (0.37) MEN1KMT2APOLB
SCHEMBL23112649 0.72 HSD11B1 (0.39) HSD11B1MEN1KMT2AGRIN2B
SCHEMBL23112895 0.72 HSD11B1 (0.39) HSD11B1MEN1KMT2AGRIN2BCCR2
SCHEMBL17982849 0.72 SLC6A3 (0.42) HSD11B1
SCHEMBL5169155 0.68 HSD11B1 (0.39) HSD11B1
SCHEMBL15212368 0.67

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-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed