SCHEMBL8678257

SCHEMBL8678257

O=C(OCCCc1cccnc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PPIA P62937 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL8676665 0.93 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL8675215 0.83 TDP1 (0.48) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL8676387 0.82 PTGER1 (0.62) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL8678347 0.79 HTR1A (0.62) TDP1KMT2ALMNAL3MBTL1PTGER1
SCHEMBL8326623 0.79 PTGER1 (0.69) KMT2APTGER1PTGER4PTGER3PTGER2
SCHEMBL8678253 0.79 CNR2 (0.48) L3MBTL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8675525 0.79 PTGER1 (0.61) TDP1KMT2ASLC6A2SLC6A3ESR1
SCHEMBL8698807 0.77 TDP1 (0.64) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL8328747 0.77 MAPT (0.54) KMT2ALMNAL3MBTL1PTGER1PTGER4
SCHEMBL8698908 0.76 TDP1 (0.62) TDP1KMT2ASLC6A2SLC6A3LMNA

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 — — US disclosed
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