SCHEMBL11416319

SCHEMBL11416319

CCc1cccc(CC)c1NC(=S)NC1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 4/20 0.64
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ CACNA1B Q00975 2/20 0.52
▸ APBA1 Q02410 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL11420449 0.98 ALOX12 (0.67) ALOX12LMNASMN1; SMN2GAAHPGD
SCHEMBL11415268 0.98 ALOX12 (0.67) ALOX12LMNASMN1; SMN2GAAHPGD
SCHEMBL11417885 0.94 ALOX12 (0.55) ALOX12LMNASMN1; SMN2GAAHPGD
SCHEMBL11415384 0.92 ALOX12 (0.74) ALOX12LMNASMN1; SMN2GAAHPGD
SCHEMBL11417858 0.90 ALOX12 (0.77) ALOX12LMNASMN1; SMN2GAAHPGD
SCHEMBL11414298 0.90 ALOX12 (0.77) ALOX12LMNASMN1; SMN2GAAHPGD
SCHEMBL11416982 0.87 ALOX12 (0.56) ALOX12LMNASMN1; SMN2GAAHPGD
SCHEMBL11138010 0.86 ALOX12 (0.52) ALOX12LMNASMN1; SMN2GAAALDH1A1
SCHEMBL11434657 0.85 ALOX12 (0.65) ALOX12LMNASMN1; SMN2GAAALDH1A1
SCHEMBL11414640 0.84 ALOX12 (0.55) ALOX12LMNASMN1; SMN2GAAHPGD

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-4194008-A INSECTICIDE, FUNGICIDE, MITICIDE, PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-03-18 — — US disclosed
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