SCHEMBL11246100

SCHEMBL11246100

O=C(Nc1nc(C(Cl)(Cl)Cl)ns1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
NPC1 O15118 4/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SCD O00767 3/20 0.52
MMP13 P45452 2/20 0.52
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RECQL P46063 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL11239574 0.88 KMT2A (0.54) MAPTNPC1MMP13RAB9ASMN1; SMN2
SCHEMBL11236457 0.86 KMT2A (0.57) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL11220429 0.81 ADORA3 (0.62) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL18094458 0.74 ADORA3 (0.69) MAPTNPC1LMNAKDM4ESCD
SCHEMBL11249270 0.72 NPC1 (0.53) MAPTNPC1KDM4ESCDRAB9A
SCHEMBL4293155 0.70 STAT3 (0.64) MAPTNPC1LMNAKDM4ESCD
SCHEMBL3191246 0.69 NPC1 (1.00) MAPTNPC1LMNAKDM4ESCD
SCHEMBL11240993 0.69 THRB (0.58) MAPTNPC1LMNAKDM4ERAB9A
SCHEMBL11051554 0.69 CA1 (0.65) MAPTNPC1LMNAKDM4ESCD
SCHEMBL2179411 0.69 NPC1 (0.69) MAPTNPC1LMNAKDM4ESCD

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