SCHEMBL8614910

SCHEMBL8614910

O=C(NCCCSc1ccccn1)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
MAPT P10636 2/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NLRP1 Q9C000 1/20 0.56
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
NAAA Q02083 1/20 0.52
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
HSP90AA1 P07900 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
Hydrochloric Acid SCHEMBL8615441 0.99 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8620519 0.96 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8617463 0.92 NPC1 (0.65) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8618103 0.87 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8613549 0.86 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL8616676 0.85 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8613490 0.85 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL8616815 0.83 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8617471 0.83 NPC1 (0.68) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8619134 0.82 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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 9 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
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
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