SCHEMBL9871967

SCHEMBL9871967

S=C(Cc1ccccc1)N1CCCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.57
MGLL Q99685 3/20 0.57
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.49
ALDH1A1 P00352 8/20 0.49
GLA P06280 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL11083860 0.81 FAAH (0.54) FAAHMGLLKMT2AGAAALDH1A1
SCHEMBL1108678 0.81 MGLL (0.82) FAAHMGLLRAB9ASMN1; SMN2MEN1
SCHEMBL9527348 0.81 TDP1 (0.56) FAAHMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL9529297 0.81 ALDH1A1 (0.71) FAAHMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL9528419 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL9528913 0.80 HRH3 (0.50) FAAHMGLLNPC1RAB9AHTT
SCHEMBL9528259 0.78 ALDH1A1 (0.49) FAAHMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL29386549 0.78 DPP4 (0.56) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL8599235 0.77 NPC1 (0.69) NPC1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL1492483 0.77 NPC1 (0.69) NPC1SMN1; SMN2MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP disclosed