SCHEMBL9547586

SCHEMBL9547586

NC(=O)N(Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
SIGMAR1 Q99720 6/20 0.46
CFTR P13569 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
MMP9 P14780 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL10822129 0.83 SIGMAR1 (0.47) L3MBTL1SIGMAR1MMP9KDM4EHPGD
SCHEMBL11220240 0.82 RAB9A (0.60) L3MBTL1SIGMAR1CFTRTRPM8MMP9
SCHEMBL27515197 0.81 SIGMAR1 (0.62) L3MBTL1SIGMAR1MMP9KDM4EALDH1A1
SCHEMBL2428985 0.81 BCL2A1 (0.50) L3MBTL1SIGMAR1CFTRTRPM8MMP9
SCHEMBL3216842 0.79 MMP9 (0.47) L3MBTL1SIGMAR1MMP9KDM4EHPGD
SCHEMBL10401416 0.79 MMP9 (0.47) L3MBTL1SIGMAR1MMP9KDM4EALDH1A1
SCHEMBL3058316 0.77 TSHR (0.49) L3MBTL1CFTRTRPM8KDM4EHPGD
SCHEMBL28003967 0.77 ALDH1A1 (0.48) L3MBTL1SIGMAR1MMP9KDM4EHPGD
SCHEMBL27499854 0.77 PDK1 (0.43) CFTRTRPM8HPGDALDH1A1TSHR
SCHEMBL6685254 0.77 SIGMAR1 (0.44) L3MBTL1SIGMAR1KDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed