SCHEMBL11533124

SCHEMBL11533124

CNC(=O)ON=C(CSc1ccncc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
LMNA P02545 4/20 0.40
PKM P14618 1/20 0.40
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPY5R Q15761 1/20 0.36
KDM4E B2RXH2 1/20 0.36
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
CYP17A1 P05093 1/20 0.33

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
SCHEMBL11533119 1.00 ALDH1A1 (0.40) ALDH1A1LMNAPKMHTTHSD17B10
SCHEMBL11853020 0.87 FFAR1 (0.42) ALDH1A1LMNAHTTHSD17B10SMN1; SMN2
SCHEMBL11530902 0.81 TSHR (0.39) ALDH1A1HTTHSD17B10SMN1; SMN2KDM4E
SCHEMBL11530907 0.81 TSHR (0.39) ALDH1A1HTTHSD17B10SMN1; SMN2KDM4E
SCHEMBL11532667 0.79 SMN1; SMN2 (0.49) ALDH1A1LMNAPKMHSD17B10SMN1; SMN2
SCHEMBL11532668 0.79 SMN1; SMN2 (0.49) ALDH1A1LMNAPKMHSD17B10SMN1; SMN2
SCHEMBL11680453 0.78 RAB9A (0.37) ALDH1A1LMNAHTTHSD17B10SMN1; SMN2
SCHEMBL11532626 0.77 KMT2A (0.54) ALDH1A1PKMHTTSMN1; SMN2KDM4E
SCHEMBL11532623 0.77 KMT2A (0.54) ALDH1A1PKMHTTSMN1; SMN2KDM4E
SCHEMBL11533151 0.76 RAB9A (0.45) ALDH1A1LMNAPKMHSD17B10SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118389-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1978-10-03 US claimed
US-4156082-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-22 US disclosed
US-4154733-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4154732-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4118389-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1978-10-03 US disclosed