SCHEMBL11182811

SCHEMBL11182811

COc1ccc(NC(=O)N(C)C(=O)N(C)C)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 3/20 0.55
TP53 P04637 2/20 0.55
ESR2 Q92731 1/20 0.55
NOX1 Q9Y5S8 1/20 0.55
ALOX15 P16050 1/20 0.53
TGM2 P21980 1/20 0.50
NPY5R Q15761 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL7088596 0.86 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1420595 0.85 RAB9A (0.59) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL55713 0.83 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL8538067 0.83 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL11524069 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL11524064 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL11068449 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL14557553 0.81 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL11179941 0.81 TSHR (0.52) MAPTNPY5RALDH1A1MEN1KMT2A
SCHEMBL11180274 0.81 TDP1 (0.52) NPC1RAB9ASMN1; SMN2TGM2ALDH1A1

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-4293713-A ANALGESICS, ANTIINFLAMMATORIES, ANTIPYRETICS; PREPARATION FROM ALLOPHANOYL CHLORIDE AND AMINE TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1981-10-06 US claimed
US-4371544-A ANTIINFLAMMATORY AGENTS, ANALGESTICS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1983-02-01 US disclosed
US-4293713-A ANALGESICS, ANTIINFLAMMATORIES, ANTIPYRETICS; PREPARATION FROM ALLOPHANOYL CHLORIDE AND AMINE TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1981-10-06 US disclosed
US-4278672-A ANALGESICS, ANTIINFLAMMATORY AGENTS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1981-07-14 US disclosed