SCHEMBL11240993

SCHEMBL11240993

O=C(Nc1nc(C(Cl)(Cl)Cl)ns1)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.58
RAB9A P51151 9/20 0.51
NPC1 O15118 8/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
RXFP1 Q9HBX9 3/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 2/20 0.49
HTT P42858 2/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ROCK1 Q13464 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.47
PDE5A O76074 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL11232389 0.86 ALDH1A1 (0.62) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11242746 0.84 MAPT (0.58) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL11220429 0.81 ADORA3 (0.62) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL11241140 0.77 TYK2 (0.47) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL13056058 0.75 NPC1 (0.57) THRBRAB9ANPC1MEN1KMT2A
SCHEMBL11236660 0.73 ADORA3 (0.60) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL11249270 0.72 NPC1 (0.53) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL11230077 0.71 NPC1 (0.36) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11222233 0.70 SMN1; SMN2 (0.38) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11227159 0.70 SMN1; SMN2 (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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
US-4343945-A 5-Benzamido-3-trichloromethyl-1,2,4-thiadiazoles and their use as herbicides, fungicides and insecticides OLIN CORPORATION (US) 1982-08-10 US disclosed