SCHEMBL5801622

SCHEMBL5801622

c1ccc(Cn2ccnc2SSc2nccn2Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX12 P18054 1/20 0.63
CYP2C19 P33261 1/20 0.63
LMNA P02545 4/20 0.53
HTT P42858 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL25723979 0.87 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7215334 0.86 MEN1 (0.60) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7215316 0.86 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1520402 0.79 ALDH1A1 (0.80) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14970909 0.78 CYP1A2 (1.00) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1520491 0.77 MEN1 (0.58) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14970859 0.77 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL10446678 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL81625 0.76 LMNA (0.63) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6348986 0.76 HSD17B10 (0.51) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148674-A1 Therapeutic composition BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-07-06 US disclosed
WO-2006072113-A2 THERAPEUTIC COMPOSITION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-07-06 WO disclosed
US-6372772-B1 ENZYME INHIBITORS FOR REDUCTASE SYSTEMS IN CELLS PROLX PHARMACEUTICALS CORPORATION 2002-04-16 US disclosed
WO-2000006088-A2 INHIBITORS OF REDOX SIGNALING AND METHODS OF USING SAME PROLX PHARMACEUTICALS, LP (US) 2000-02-10 WO disclosed