SCHEMBL8966328

SCHEMBL8966328

O=C(NCCCSc1cccnc1)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.58
▸ GAA P10253 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HPGD P15428 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ PTBP1 P26599 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KLF5 Q13887 1/20 0.51
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.46

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
SCHEMBL8966759 0.88 KDM4E (0.64) KDM4EGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL8966486 0.84 KDM4E (0.62) KDM4EGAAALDH1A1SMN1; SMN2HTT
SCHEMBL8616834 0.80 KDM4E (0.59) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL8614389 0.77 KDM4E (0.59) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL8966814 0.75 RAB9A (0.72) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL6127192 0.74 KDM4E (0.89) KDM4EGAATSHRSMN1; SMN2HTT
SCHEMBL8615169 0.74 KDM4E (0.58) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL8966500 0.74 GAA (0.68) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL4194312 0.73 VNN1 (0.62) ALDH1A1LMNAHPGDTSHRSMN1; SMN2
SCHEMBL31185460 0.73 VNN1 (0.62) ALDH1A1LMNAHPGDTSHRSMN1; 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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