SCHEMBL8793929

SCHEMBL8793929

O=C1c2ccccc2C(O)N1CCCOc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ PKM P14618 2/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TOP1 P11387 1/20 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
SCHEMBL8619998 0.82 L3MBTL1 (0.49) L3MBTL1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL8795000 0.81 L3MBTL1 (0.48) L3MBTL1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL8795158 0.81 L3MBTL1 (0.47) L3MBTL1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL8616962 0.79 L3MBTL1 (0.50) L3MBTL1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL12522822 0.78 L3MBTL1 (0.52) L3MBTL1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL23585046 0.77 L3MBTL1 (0.59) L3MBTL1ALDH1A1RAB9AHPGDLMNA
SCHEMBL9185538 0.76 L3MBTL1 (0.50) L3MBTL1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL9188610 0.76 L3MBTL1 (0.56) L3MBTL1ALDH1A1RAB9AHPGDLMNA
SCHEMBL8619440 0.76 RAB9A (0.77) L3MBTL1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL12939880 0.76 L3MBTL1 (0.58) L3MBTL1ALDH1A1RAB9ASMN1; SMN2TSHR

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
EP-0776324-A1 ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1997-06-04 — — EP disclosed
EP-0612729-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-23 — — EP disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 — — US 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