SCHEMBL11360445

SCHEMBL11360445

N#CCNC(=O)c1ccco1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.64
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 4/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDR P35968 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 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
SCHEMBL5314302 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2PKMHPGDKMT2A
SCHEMBL16364129 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2PKMHPGDKMT2A
SCHEMBL11683297 0.80 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2PKMHPGDKMT2A
SCHEMBL5528972 0.79 CTSL (0.60) CTSLALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL6744269 0.79 CTSL (0.60) CTSLALDH1A1SMN1; SMN2PKMHPGD
SCHEMBL11597081 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2PKMHPGDKMT2A
SCHEMBL4587893 0.78 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2PKMHPGDKMT2A
SCHEMBL6361865 0.77 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2PKMHPGDKMT2A
SCHEMBL13074753 0.77 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2PKMHPGDKMT2A
SCHEMBL4628727 0.77 MEN1 (0.58) ALDH1A1SMN1; SMN2PKMHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003261-B1 OXADITHIADIAZAPENTALENES, THEIR PREPARATION, FUNGICIDAL COMPOSITIONS CONTAINING THEM AND THE CONTROL OF FUNGI USING THEM CHEVRON RESEARCH COMPANY (US) 1981-12-30 EP disclosed
US-4179441-A REACTING SULFUR HALIDE WITH N-CYANOMETHYLCARBOXAMIDE; CYCLIZATION CHEVRON RESEARCH COMPANY (US) 1979-12-18 US disclosed
EP-0003261-A1 Oxadithiadiazapentalenes, their preparation, fungicidal compositions containing them and the control of fungi using them CHEVRON RESEARCH COMPANY (US) 1979-08-08 EP disclosed