SCHEMBL9329482

SCHEMBL9329482

O=C(/C=C/c1ccccc1)/C=C/c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
MAPT P10636 4/20 0.66
ALDH1A1 P00352 4/20 0.66
LMNA P02545 4/20 0.66
PLIN1 O60240 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
F3 P13726 1/20 0.66
RECQL P46063 1/20 0.66
PLIN5 Q00G26 1/20 0.66
ABHD5 Q8WTS1 1/20 0.66
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TP53 P04637 2/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 4/20 0.55
ABCG2 Q9UNQ0 2/20 0.54
HDAC3 O15379 1/20 0.50

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
SCHEMBL9329490 1.00 HCAR2 (0.66) HCAR2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL5598741 0.89 HCAR2 (0.74) HCAR2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL5598744 0.89 HCAR2 (0.74) HCAR2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL28357180 0.87 ABCG2 (0.65) HCAR2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL8544825 0.82 KDM4E (0.54) HCAR2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL8544823 0.82 KDM4E (0.54) HCAR2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL22146 0.81 MAPT (1.00) HCAR2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL20518814 0.81 MAPT (1.00) HCAR2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL20856054 0.81 MAPT (1.00) HCAR2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL20846 0.81 MAPT (1.00) HCAR2SMN1; SMN2MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352802-A Derivatives of 4H-thiopyran-1,1-dioxide EASTMAN KODAK COMPANY (US) 1994-10-04 US disclosed
US-5300385-A Low voltage, high speed EASTMAN KODAK COMPANY (US) 1994-04-05 US disclosed