SCHEMBL9268690

SCHEMBL9268690

CC(C)c1csc(/C=C/c2cc([N+](=O)[O-])ccc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TNF P01375 1/20 0.43
HSPA1A P0DMV8 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOD1 Q9Y239 1/20 0.43
AMY1A P0DUB6 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SNCA P37840 1/20 0.38
NPBWR1 P48145 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL9268700 1.00 MAPT (0.43) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9256170 0.88 ALDH1A1 (0.40) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL9256181 0.88 ALDH1A1 (0.40) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL9261513 0.80 ALB (0.35) MAPTALDH1A1MEN1KMT2A
SCHEMBL9261501 0.80 ALB (0.35) MAPTALDH1A1MEN1KMT2A
SCHEMBL9515918 0.80 NFE2L2 (0.52) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL5776476 0.80 NFE2L2 (0.52) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL9308717 0.71 HSD17B10 (0.51) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL27401905 0.70 HSD17B10 (0.58) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL10859656 0.70 SNCA (0.57) MAPTALDH1A1LMNAHTTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399702-A Leukotriene antagonists; antiasthmatic, antiallergen, and antianaphylactic agents HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
EP-0577003-A1 Thiazolylvinylphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-01-05 EP disclosed
US-5273986-A A substituted phenylalkyleneamidophenyleneethylene thiazole HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed