SCHEMBL9016803

SCHEMBL9016803

O=C(O)CSC1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.44
FFAR1 O14842 1/20 0.41
MAPT P10636 2/20 0.40
XBP1 P17861 1/20 0.40
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 2/20 0.38
PAM P19021 3/20 0.37
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CDC25B P30305 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35

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
SCHEMBL9016831 0.81 MAPT (0.56) FFAR1MAPTXBP1ALDH1A1LMNA
SCHEMBL4384080 0.77 PRMT1 (0.48) FFAR1MAPTLMNAPKMSMN1; SMN2
SCHEMBL9090735 0.77 GRM1 (0.42) FFAR1MAPTXBP1ALDH1A1PAM
SCHEMBL9016801 0.77 TBXA2R (0.46) TBXA2RFFAR1MAPTXBP1HTR2A
SCHEMBL14459215 0.76 KIF11 (0.47) TBXA2RPKM
SCHEMBL7589860 0.72 HTR2A (0.53) FFAR1MAPTHTR2ALMNAKDM4E
SCHEMBL9090427 0.71 HTR2A (0.40) TBXA2RMAPTHTR2ALMNACYP1A2
SCHEMBL9013639 0.70 HTR2A (0.52) TBXA2RHTR2ALMNACYP1A2KDM4E
SCHEMBL9628724 0.70 ALDH1A1 (0.41) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8797292 0.69 HTR2A (0.43) HTR2AALDH1A1LMNAKDM4E

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