SCHEMBL8656672

SCHEMBL8656672

O=C(NCCCSc1ccncc1)c1sccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ BCAT2 O15382 1/20 0.42
▸ RXFP1 Q9HBX9 3/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ RECQL P46063 1/20 0.40
▸ MEN1 O00255 2/20 0.39

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
SCHEMBL8642529 0.81 NPC1 (0.47) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL8967171 0.78 RAB9A (0.66) KMT2APOLBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8966539 0.78 KMT2A (0.59) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL8966759 0.77 KDM4E (0.64) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL8966534 0.75 TDP1 (0.53) KMT2ATDP1POLBNPC1RAB9A
SCHEMBL8967222 0.74 RAB9A (0.64) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL8966486 0.74 KDM4E (0.62) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8967975 0.74 NAAA (0.59) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL8795366 0.73 TDP1 (0.48) KMT2ATDP1POLBNPC1RAB9A
SCHEMBL8967581 0.72 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2ALDH1A1MEN1

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 8 patents. 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
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 — — US disclosed
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 — — EP disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 — — US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 — — US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 — — EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 — — US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 — — EP disclosed
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