SCHEMBL11273026

SCHEMBL11273026

O=C(NC(=O)C(Cl)(Cl)Cl)NC1CCCc2sccc21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
CXCR2 P25025 4/20 0.51
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX1 P07099 1/20 0.38
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
ALDH1A1 P00352 1/20 0.36
HTT P42858 2/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL11484948 0.91 LMNA (0.59) LMNACXCR2MEN1KMT2AEPHX1
SCHEMBL11267633 0.84 LMNA (0.69) LMNACXCR2MEN1KMT2AEPHX1
SCHEMBL11490644 0.82 LMNA (0.70) LMNACXCR2MEN1KMT2AEPHX1
SCHEMBL11483687 0.81 LMNA (0.92) LMNACXCR2MEN1KMT2AEPHX1
SCHEMBL11269894 0.80 LMNA (0.60) LMNACXCR2MEN1KMT2AEPHX1
SCHEMBL11266499 0.80 NPC1 (0.42) LMNACXCR2KMT2A
SCHEMBL11483511 0.78 LMNA (0.69) LMNACXCR2MEN1KMT2AEPHX1
SCHEMBL11484122 0.78 LMNA (0.69) LMNACXCR2MEN1KMT2AEPHX1
SCHEMBL3727753 0.78 LMNA (0.61) LMNACXCR2MEN1KMT2AEPHX1
SCHEMBL11261936 0.77 LMNA (0.63) LMNACXCR2MEN1KMT2AEPHX1

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-4332724-A OXIDATION IN PRESENCE OF COBALT CATALYST AMERICAN CYANAMID CO. (US) 1982-06-01 US disclosed