SCHEMBL9016831

SCHEMBL9016831

O=C(O)CSC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
XBP1 P17861 1/20 0.56
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
CDC25B P30305 3/20 0.46
FFAR1 O14842 1/20 0.44
S100A4 P26447 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
MAP2K7 O14733 1/20 0.40
CDC25A P30304 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL14280080 0.83 MAPT (0.51) MAPTXBP1LMNAALDH1A1PKM
SCHEMBL8368744 0.81 MAPT (0.47) MAPTXBP1LMNAALDH1A1PKM
SCHEMBL9016803 0.81 TBXA2R (0.44) MAPTXBP1LMNAALDH1A1PKM
SCHEMBL9090735 0.80 GRM1 (0.42) MAPTXBP1LMNAALDH1A1PKM
SCHEMBL4384080 0.80 PRMT1 (0.48) MAPTLMNAPKMSMN1; SMN2TSHR
SCHEMBL9016801 0.80 TBXA2R (0.46) MAPTXBP1CYP1A2TSHRFFAR1
SCHEMBL8369184 0.76 MAPT (0.44) MAPTXBP1LMNAALDH1A1PKM
SCHEMBL15505367 0.74 ALDH1A1 (0.46) MAPTALDH1A1CYP1A2TSHRCDC25B
SCHEMBL3471771 0.74 KIF11 (0.48) MAPTXBP1PKMCYP1A2TSHR
SCHEMBL9628724 0.73 ALDH1A1 (0.41) MAPTLMNAALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571825-A Method of selectively inhibiting prostaglandin G/H synthase-2 WARNER-LAMBERT COMPANY (US) 1996-11-05 US disclosed