SCHEMBL8966534

SCHEMBL8966534

O=C(O)c1ccccc1C(=O)NCCCSc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
HSP90AA1 P07900 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HPGD P15428 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 2/20 0.47
RECQL P46063 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 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
SCHEMBL8795013 0.87 TDP1 (0.59) TDP1HSP90AA1RXFP1HPGDNPC1
SCHEMBL8794547 0.86 TDP1 (0.49) TDP1HSP90AA1RXFP1HPGDNPC1
Hydrochloric Acid SCHEMBL8966286 0.86 TDP1 (0.58) TDP1HSP90AA1RXFP1HPGDNPC1
SCHEMBL8967171 0.85 RAB9A (0.66) HPGDNPC1RAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8967269 0.85 TDP1 (0.48) TDP1HSP90AA1RXFP1HPGDNPC1
SCHEMBL8795366 0.85 TDP1 (0.48) TDP1HSP90AA1RXFP1HPGDNPC1
SCHEMBL8641088 0.83 NAAA (0.56) TDP1HSP90AA1RXFP1HPGDNPC1
Hydrochloric Acid SCHEMBL8966516 0.83 PPARG (0.49) TDP1HSP90AA1RXFP1HPGDNPC1
SCHEMBL8967276 0.82 HDAC3 (0.46) TDP1HSP90AA1RXFP1HPGDNPC1
SCHEMBL8967222 0.81 RAB9A (0.64) HPGDNPC1RAB9ASMN1; SMN2KMT2A

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 6 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
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