SCHEMBL9602725

SCHEMBL9602725

CC(F)[CH]Sc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DDAH1 O94760 1/20 0.41
NOS1 P29475 1/20 0.41
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL6517748 0.70
SCHEMBL7772595 0.66
SCHEMBL9703811 0.66
SCHEMBL6095853 0.66 MEN1 (0.50) MEN1KMT2ADDAH1NOS1CYP3A4
SCHEMBL7810644 0.65 NOS1 (0.50) MEN1KMT2ADDAH1NOS1CYP3A4
Hydrochloric Acid SCHEMBL6097232 0.64 MEN1 (0.48) MEN1KMT2ADDAH1NOS1CYP3A4
SCHEMBL10772557 0.64 MEN1 (0.42) MEN1KMT2ADDAH1NOS1CYP3A4
SCHEMBL27668974 0.62
SCHEMBL10402880 0.62 MEN1 (0.41) MEN1KMT2ADDAH1NOS1CYP3A4
SCHEMBL10403863 0.62 MEN1 (0.41) MEN1KMT2ADDAH1NOS1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227953-B1 NEW CEPHALOSPORIN DERIVATIVES AND ANTIBIOTICS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1993-02-03 EP disclosed
US-4898858-A Cephalosporin derivatives and antibiotics containing the same MEIJI SEIKA KAISHA LTD. (JP) 1990-02-06 US disclosed