SCHEMBL1710002

SCHEMBL1710002

O=C(c1ccccc1)C(Sc1ncn[nH]1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
KDM4E B2RXH2 4/20 1.00
HSD17B10 Q99714 4/20 1.00
HPGD P15428 3/20 1.00
ALOX15 P16050 3/20 1.00
POLB P06746 2/20 1.00
TP53 P04637 1/20 1.00
TSHR P16473 1/20 1.00
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPK1 P28482 1/20 0.52
NR3C2 P08235 1/20 0.49
GAA P10253 1/20 0.46
RAB9A P51151 2/20 0.44
MPO P05164 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.42

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
SCHEMBL857196 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL10882291 0.73 LMNA (0.59) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL23527342 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL5793312 0.70 TDP1 (0.59) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL8804842 0.68 L3MBTL1 (0.55) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL11865755 0.67 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL23527323 0.66 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL22686835 0.65 TDP1 (0.52) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL22686837 0.65 TDP1 (0.52) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL881068 0.64 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10HPGDALOX15

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-20120088771-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP): A THERAPEUTIC TARGET FOR ARTERIAL CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-12 US disclosed