SCHEMBL8558908

SCHEMBL8558908

CC(C)(CCBr)CCSC#N

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10800075 0.70
SCHEMBL799260 0.70
SCHEMBL11083800 0.66
SCHEMBL3210806 0.65 ALDH3A1 (0.36) ALDH1A1TP53HPGDTSHRMAPK1
Thiocyanic Acid SCHEMBL8558910 0.65 CA1 (0.30)
SCHEMBL11092607 0.64
SCHEMBL1087685 0.63
SCHEMBL11676643 0.63
SCHEMBL799369 0.62 ALDH3A1 (0.34) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL12577605 0.62

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548923-B1 Antiallergic, antiinflammatory and anti-PAF pyridazine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-08 EP disclosed
US-5369104-A Antiasthmatic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-29 US disclosed
EP-0548923-A2 Antiallergic, antiinflammatory and anti-PAF pyridazine compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed