SCHEMBL27324944

SCHEMBL27324944

CCOC(=O)C(C(=O)c1ccccc1)c1ccc(CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
PIN1 Q13526 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
F10 P00742 1/20 0.39
BACE1 P56817 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL6908528 0.87 MMP8 (0.64) MMP8MEN1NPC1KMT2ACA12
SCHEMBL8200333 0.85 MMP8 (0.55) MMP8MEN1NPC1KMT2ACA12
SCHEMBL27354703 0.85 MMP8 (0.49) MMP8MEN1NPC1KMT2ACA12
SCHEMBL27620198 0.83 CA2 (0.41) MMP8CA12CA1CA2CA9
SCHEMBL7093633 0.83 MMP8 (0.52) MMP8MEN1NPC1KMT2ACA12
SCHEMBL7093345 0.82 NPC1 (0.56) MMP8MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL7095774 0.81 MMP8 (0.50) MMP8MEN1NPC1KMT2ACA12
SCHEMBL7092555 0.80 MMP8 (0.59) MMP8MEN1NPC1KMT2ACA12
SCHEMBL27676660 0.78 MMP8 (0.54) MMP8MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL7925167 0.78 MMP8 (0.47) MMP8MEN1NPC1KMT2ACA12

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
CN-1051311-C N-heteroaryl-n'-phenylurea derivatives, their production and use NIHON NOHYAKU CO LTD (JP) 2000-04-12 CN disclosed
CN-1100417-A N-heteroaryl-n'-phenylurea derivatives, their production and use NIHON NOHYAKU CO LTD (JP) 1995-03-22 CN disclosed