SCHEMBL8613525

SCHEMBL8613525

O=C(NCCCOc1ccccn1)c1cc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.62
▸ NAMPT P43490 2/20 0.57
▸ ACKR3 P25106 2/20 0.53
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HDAC9 Q9UKV0 2/20 0.50
▸ HDAC5 Q9UQL6 2/20 0.50
▸ DRD2 P14416 6/20 0.48
▸ DRD3 P35462 6/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ BLM P54132 1/20 0.48

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
Hydrochloric Acid SCHEMBL8621873 0.99 RAB9A (0.61) RAB9ANAMPTACKR3HDAC3HDAC4
SCHEMBL8966492 0.84 RAB9A (0.62) RAB9ANAMPTACKR3HDAC3HDAC4
Hydrochloric Acid SCHEMBL8966338 0.83 RAB9A (0.61) RAB9ANAMPTACKR3HDAC3HDAC4
SCHEMBL8620030 0.80 RAB9A (0.60) RAB9ANAMPTACKR3HDAC3HDAC4
SCHEMBL8615161 0.79 RAB9A (0.59) RAB9ANAMPTACKR3HDAC3HDAC4
SCHEMBL5094626 0.79 RAB9A (0.77) RAB9ANAMPTACKR3HDAC3HDAC4
SCHEMBL8613372 0.78 GAA (0.65) RAB9AHDAC3HDAC1POLB
SCHEMBL8899400 0.77 RAB9A (1.00) RAB9ANAMPTACKR3HDAC3HDAC4
SCHEMBL1193044 0.77 RAB9A (0.75) RAB9ANAMPTACKR3HDAC3HDAC4
SCHEMBL444315 0.77 RAB9A (0.60) RAB9ANAMPTACKR3HDAC3HDAC4

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-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 — — US disclosed
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