SCHEMBL8966769

SCHEMBL8966769

O=C(NCCCSc1ccncc1)c1cc(Br)c(Br)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ AKT1 P31749 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL8618256 0.81 SMN1; SMN2 (0.50) RXFP1HSP90AA1KMT2AMEN1GAA
SCHEMBL8966996 0.79 RAB9A (0.61) KMT2AMEN1RAB9APOLBNAMPT
SCHEMBL8966475 0.78 NAMPT (0.56) RXFP1KMT2AGAANPSR1KDM4E
SCHEMBL8966759 0.78 KDM4E (0.64) KMT2AGAAKDM4ESMN1; SMN2NPC1
SCHEMBL8967975 0.76 NAAA (0.59) KMT2AMEN1SMN1; SMN2NPC1ALDH1A1
SCHEMBL8966304 0.76 RAB9A (0.60) KMT2AMEN1RAB9APOLBNAMPT
SCHEMBL8966486 0.74 KDM4E (0.62) KMT2AGAAKDM4ESMN1; SMN2NPC1
SCHEMBL8967171 0.73 RAB9A (0.66) KMT2AMEN1SMN1; SMN2NPC1ALDH1A1
SCHEMBL8966323 0.73 KMT2A (0.45) RXFP1HSP90AA1KMT2AMEN1SMN1; SMN2
SCHEMBL11087591 0.72 NAMPT (0.65) KMT2AMEN1GAAKDM4ESMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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