SCHEMBL10915521

SCHEMBL10915521

CC(COc1ccccc1)Nc1ncnc2sccc12

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.63
▸ TNF P01375 2/20 0.63
▸ NOD1 Q9Y239 2/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 3/20 0.50
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ FDPS P14324 1/20 0.48
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ GBA1 P04062 1/20 0.43
▸ PIK3CD O00329 1/20 0.43

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
SCHEMBL8491417 0.82 TNF (0.66) RAB9ATNFNOD1SMN1; SMN2NPC1
SCHEMBL6123117 0.80 RAB9A (0.59) RAB9ATNFNOD1SMN1; SMN2NPC1
SCHEMBL11256846 0.79 NR2F2 (0.59) RAB9ASMN1; SMN2NPC1KMT2ATSHR
SCHEMBL1904096 0.78 TNF (1.00) RAB9ATNFNOD1NPC1FDPS
SCHEMBL8506455 0.77 RAB9A (0.58) RAB9ATNFNOD1SMN1; SMN2NPC1
SCHEMBL9609193 0.77 RAB9A (0.58) RAB9ATNFNOD1SMN1; SMN2NPC1
SCHEMBL11413904 0.76 RAB9A (0.68) RAB9ATNFNOD1NPC1MEN1
SCHEMBL8505866 0.76 KMT2A (0.68) RAB9ATNFNOD1SMN1; SMN2NPC1
SCHEMBL8516404 0.76 RAB9A (0.57) RAB9ATNFNOD1SMN1; SMN2NPC1
SCHEMBL8490752 0.76 RAB9A (0.57) RAB9ATNFNOD1SMN1; SMN2NPC1

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-0103114-B1 THIENOPYRIDINE DERIVATIVES, THEIR PREPARATION AND INSECTICIDAL AND ACARICIDAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1986-11-12 — — EP disclosed
US-4562193-A 4-[2-(Di- or trisubstitutedphenoxy)ethyl amino]thienodipyrimidines and insecticidal and acaricidal composition containing said pyrimidines SANKYO COMPANY LIMITED (JP) 1985-12-31 — — US disclosed
EP-0103114-A2 Thienopyridine derivatives, their preparation and insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1984-03-21 — — EP disclosed
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