SCHEMBL14433902

SCHEMBL14433902

O=C(NCCc1ccccn1)Nc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.67
TAS1R3 Q7RTX0 1/20 0.63
TAS1R1 Q7RTX1 1/20 0.63
RAB9A P51151 3/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
HTT P42858 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL7844957 0.82 CNR1 (0.80) CNR1TAS1R3TAS1R1RAB9ANPC1
SCHEMBL18317283 0.80 CNR1 (0.76) CNR1TAS1R3TAS1R1RAB9ANPC1
SCHEMBL22834166 0.80 CNR1 (1.00) CNR1TAS1R3TAS1R1RAB9ANPC1
SCHEMBL12994638 0.80 CNR1 (0.76) CNR1TAS1R3TAS1R1RAB9ANPC1
SCHEMBL29615054 0.80 CNR1 (1.00) CNR1TAS1R3TAS1R1RAB9ANPC1
SCHEMBL11617438 0.77 CA12 (0.71) CNR1TAS1R3TAS1R1RAB9ANPC1
SCHEMBL702289 0.77 TAS1R3 (1.00) CNR1TAS1R3TAS1R1RAB9ANPC1
SCHEMBL706185 0.76 CA12 (0.70) CNR1TAS1R3TAS1R1RAB9ANPC1
SCHEMBL11613062 0.76 LMNA (0.63) CNR1TAS1R3TAS1R1RAB9ACA1
SCHEMBL3716649 0.74 L3MBTL1 (0.64) CNR1TAS1R3TAS1R1RAB9ANPC1

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
WO-2007076055-A9 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED INC (US) 2007-08-30 WO disclosed
WO-2007076055-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2007-07-05 WO disclosed