SCHEMBL18999974

SCHEMBL18999974

CC(C)(C)c1ccc(NC(=O)c2sc3nc4c(cc3c2N)CNCC4)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.58
TP53 P04637 9/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 3/20 0.58
RXFP1 Q9HBX9 1/20 0.57
ADORA2A P29274 2/20 0.55
TDP1 Q9NUW8 1/20 0.52
RORC P51449 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CASP3 P42574 1/20 0.50
KLF5 Q13887 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL18999961 0.91 TDP1 (0.61) MAPTTP53SMN1; SMN2POLBRXFP1
SCHEMBL19000241 0.89 MAPT (0.62) MAPTTP53SMN1; SMN2POLBRXFP1
SCHEMBL18999971 0.89 MAPT (0.61) MAPTTP53SMN1; SMN2POLBRXFP1
SCHEMBL18537653 0.88 ADORA2A (0.68) MAPTTP53SMN1; SMN2POLBRXFP1
SCHEMBL18999962 0.88 MAPT (0.64) MAPTTP53SMN1; SMN2POLBRXFP1
SCHEMBL18537663 0.83 ALDH1A1 (0.67) MAPTTP53SMN1; SMN2POLBRXFP1
SCHEMBL18999842 0.83 MAPT (0.59) MAPTTP53SMN1; SMN2POLBRXFP1
SCHEMBL429402 0.83 ADORA2A (0.80) MAPTTP53SMN1; SMN2POLBADORA2A
SCHEMBL19000337 0.82 TP53 (0.67) MAPTTP53SMN1; SMN2POLBRXFP1
SCHEMBL10134544 0.81 MAPT (0.63) MAPTTP53SMN1; SMN2POLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed