SCHEMBL8967276

SCHEMBL8967276

Nc1ccccc1C(=O)NCCCCSc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSP90AA1 P07900 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL8794411 0.99 HDAC3 (0.46) HDAC3HDAC1ALDH1A1KDM4ELMNA
SCHEMBL8794547 0.96 TDP1 (0.49) HDAC3HDAC1ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL8967269 0.95 TDP1 (0.48) HDAC3HDAC1ALDH1A1KDM4ELMNA
SCHEMBL8641088 0.86 NAAA (0.56) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL8795783 0.84 HPGD (0.47) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL8795013 0.82 TDP1 (0.59) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL8966534 0.82 TDP1 (0.53) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL8967222 0.82 RAB9A (0.64) HDAC3HDAC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8619134 0.81 SMN1; SMN2 (0.54) HDAC3HDAC1ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL8966286 0.81 TDP1 (0.58) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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 7 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
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