SCHEMBL8620030

SCHEMBL8620030

O=C(NCCCSc1ccccn1)c1cc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.60
▸ NAMPT P43490 2/20 0.55
▸ ACKR3 P25106 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 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
SCHEMBL8615161 0.97 RAB9A (0.59) RAB9ANAMPTACKR3KMT2AMEN1
SCHEMBL8618591 0.93 RAB9A (0.56) RAB9ANAMPTACKR3KMT2AMEN1
SCHEMBL8966996 0.83 RAB9A (0.61) RAB9ANAMPTACKR3KMT2AMEN1
SCHEMBL8618256 0.82 SMN1; SMN2 (0.50) RAB9AKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL8966304 0.80 RAB9A (0.60) RAB9ANAMPTACKR3KMT2AMEN1
SCHEMBL8621386 0.80 NPC1 (0.59) RAB9ANAMPTKMT2AUSP2POLB
SCHEMBL8613525 0.80 RAB9A (0.62) RAB9ANAMPTACKR3KMT2AMEN1
SCHEMBL8614389 0.79 KDM4E (0.59) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
Hydrochloric Acid SCHEMBL8621873 0.79 RAB9A (0.61) RAB9ANAMPTACKR3KMT2AMEN1
SCHEMBL8617471 0.77 NPC1 (0.68) RAB9AKMT2AMEN1SMN1; 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 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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