SCHEMBL8497699

SCHEMBL8497699

CNc1ccccc1SC(OC)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 3/20 0.33
HTR2A P28223 2/20 0.33
CHRM2 P08172 1/20 0.33
ADRA1A P35348 1/20 0.33
RGS12 O14924 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL16204250 0.72 ADRA2C (0.44) MAPTALDH1A1TDP1KDM4EPOLB
SCHEMBL31499299 0.69 KMT2A (0.40) ALDH1A1KMT2AHTR2ACHRM2CYP2D6
SCHEMBL1782470 0.69 KMT2A (0.40) ALDH1A1TDP1KDM4EKMT2AHTR2A
SCHEMBL6651178 0.69 KMT2A (0.40) ALDH1A1TDP1KDM4EKMT2AHTR2A
SCHEMBL24181427 0.69 POLB (0.42) MAPTALDH1A1TDP1KDM4EPOLB
SCHEMBL8495606 0.67 ALDH1A1 (0.48) MAPTALDH1A1TDP1KDM4EPOLB
SCHEMBL6244315 0.67 L3MBTL1 (0.46) MAPTALDH1A1TDP1KDM4EPOLB
SCHEMBL8897003 0.67 CETP (0.48) MAPTALDH1A1TDP1KDM4EPOLB
SCHEMBL98494 0.67 KMT2A (0.39) MAPTALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL5503227 0.66 KMT2A (0.38) ALDH1A1TDP1L3MBTL1NPSR1KMT2A

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
EP-0903341-A1 \"Novel ortho-mercaptoaniline compounds\ Akzo Nobel N.V. (NL) 1999-03-24 EP disclosed