SCHEMBL9547528

SCHEMBL9547528

Cc1cccc(NC(=O)N(c2cccc(C)c2)c2cccc(C)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
HSP90AA1 P07900 1/20 0.61
HSD17B10 Q99714 1/20 0.59
HPGD P15428 2/20 0.56
RXFP1 Q9HBX9 1/20 0.54
PKM P14618 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KCNK3 O14649 1/20 0.50
KCNH2 Q12809 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.48

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
SCHEMBL28251299 0.86 HPGD (0.51) KMT2AMEN1HSP90AA1HSD17B10HPGD
SCHEMBL16518668 0.82 HSD17B10 (0.57) KMT2AMEN1HSP90AA1HSD17B10HPGD
SCHEMBL2497264 0.82 HPGD (0.56) KMT2AMEN1HSP90AA1HPGDPKM
SCHEMBL5135347 0.82 KMT2A (0.50) KMT2AMEN1HSP90AA1HSD17B10HPGD
SCHEMBL28027180 0.81 HPGD (0.49) KMT2AMEN1HSP90AA1HSD17B10HPGD
SCHEMBL8153658 0.81 HSD17B10 (0.65) KMT2AMEN1HSP90AA1HSD17B10HPGD
SCHEMBL7618599 0.79 HSD17B10 (0.62) KMT2AMEN1HSP90AA1HSD17B10HPGD
SCHEMBL10212285 0.78 KDR (0.57) KMT2AMEN1HSP90AA1HSD17B10HPGD
SCHEMBL5545056 0.77 HSD17B10 (0.69) KMT2AMEN1HSD17B10HPGDRXFP1
SCHEMBL8094338 0.77 HSD17B10 (0.64) KMT2AMEN1HSP90AA1HSD17B10HPGD

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