SCHEMBL8795366

SCHEMBL8795366

O=C(NCCCSc1ccncc1)c1ccccc1CO

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
HSP90AA1 P07900 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HPGD P15428 7/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8795783 0.96 HPGD (0.47) TDP1HSP90AA1RXFP1HPGDL3MBTL1
SCHEMBL8654437 0.92 HPGD (0.54) HPGDL3MBTL1LMNAGAASMN1; SMN2
SCHEMBL8795013 0.85 TDP1 (0.59) TDP1HSP90AA1RXFP1HPGDL3MBTL1
SCHEMBL8966534 0.85 TDP1 (0.53) TDP1HSP90AA1RXFP1HPGDL3MBTL1
SCHEMBL8794547 0.84 TDP1 (0.49) TDP1HSP90AA1RXFP1HPGDLMNA
Hydrochloric Acid SCHEMBL8966286 0.84 TDP1 (0.58) TDP1HSP90AA1RXFP1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL8966516 0.83 PPARG (0.49) TDP1HSP90AA1RXFP1HPGDLMNA
Hydrochloric Acid SCHEMBL8967269 0.82 TDP1 (0.48) TDP1HSP90AA1RXFP1HPGDLMNA
Hydrochloric Acid SCHEMBL8966347 0.82 TDP1 (0.42) TDP1HSP90AA1RXFP1HPGDL3MBTL1
SCHEMBL8613490 0.81 SMN1; SMN2 (0.54) HPGDL3MBTL1LMNAGAASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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