SCHEMBL8616834

SCHEMBL8616834

O=C(NCCSc1ccncc1)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.59
▸ GAA P10253 1/20 0.55
▸ NPC1 O15118 8/20 0.54
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ RAB9A P51151 7/20 0.54
▸ KMT2A Q03164 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HPGD P15428 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
SCHEMBL8966759 0.92 KDM4E (0.64) KDM4EGAANPC1SMN1; SMN2RAB9A
SCHEMBL8966486 0.91 KDM4E (0.62) KDM4EGAANPC1SMN1; SMN2RAB9A
SCHEMBL8966328 0.80 KDM4E (0.58) KDM4EGAANPC1SMN1; SMN2RAB9A
SCHEMBL4964688 0.78 NPC1 (0.78) KDM4EGAANPC1SMN1; SMN2RAB9A
SCHEMBL8613499 0.78 RAB9A (0.79) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL10596231 0.78 KMT2A (0.60) KDM4EGAANPC1SMN1; SMN2RAB9A
SCHEMBL8966544 0.77 RAB9A (0.57) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL8966500 0.77 GAA (0.68) KDM4EGAANPC1SMN1; SMN2RAB9A
SCHEMBL10402679 0.76 RAB9A (0.49) GAANPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL8621053 0.75 SMN1; SMN2 (0.57) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1

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
Send feedback