SCHEMBL18798677

SCHEMBL18798677

CNC(=O)CNC(=O)n1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPK3 P27361 1/20 0.61
ASAH1 Q13510 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SQOR Q9Y6N5 1/20 0.61
KMT2A Q03164 1/20 0.45

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
SCHEMBL11741360 0.85 LMNA (0.61) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL4637559 0.84 LMNA (0.61) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL10459087 0.84 ASAH1 (0.72) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11665245 0.83 LMNA (0.61) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11251920 0.81 LMNA (0.68) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11601229 0.80 ASAH1 (0.80) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL18800117 0.80 LMNA (0.51) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL18800116 0.79 LMNA (0.50) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL17278298 0.78 LMNA (0.69) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11666682 0.78 LMNA (0.61) LMNACYP3A4CYP2D6MAPK3ASAH1

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
US-9636404-B2 Pharmaceutical composition comprising modified hemoglobin-based therapeutic agent for cancer targeting treatment and diagnostic imaging VISION GLOBAL HOLDINGS LTD. (CN) 2017-05-02 US disclosed
US-9636404-B2 Pharmaceutical composition comprising modified hemoglobin-based therapeutic agent for cancer targeting treatment and diagnostic imaging VISION GLOBAL HOLDINGS LTD. (CN) 2017-05-02 US disclosed