SCHEMBL7777979

SCHEMBL7777979

O=C(CCc1ccccc1)NCc1nccs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ TRPV1 Q8NER1 1/20 0.50
▸ ADORA2B P29275 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ ERCC1 P07992 1/20 0.50
▸ ERCC4 Q92889 1/20 0.50
▸ PLA2G4A P47712 1/20 0.49
▸ NTRK1 P04629 1/20 0.48
▸ CES1 P23141 1/20 0.48

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
SCHEMBL18956515 0.92 HTT (0.57) HPGDALOX15TDP1L3MBTL1SMN1; SMN2
SCHEMBL18956313 0.91 PLA2G4A (0.59) HPGDALOX15TDP1L3MBTL1SMN1; SMN2
SCHEMBL25381692 0.86 KDM4E (0.56) HPGDALOX15TDP1L3MBTL1SMN1; SMN2
SCHEMBL25381690 0.82 ALDH1A1 (0.58) HPGDALOX15TDP1L3MBTL1SMN1; SMN2
SCHEMBL27785098 0.81 MEN1 (0.52) HPGDALOX15TDP1CYP2C19SMN1; SMN2
SCHEMBL1458948 0.80 PKM (0.67) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25382013 0.79 SMN1; SMN2 (0.49) HPGDALOX15TDP1CYP1A2CYP3A4
SCHEMBL25383792 0.79 SLC6A3 (0.47) HPGDALOX15TDP1CYP1A2CYP3A4
SCHEMBL4067173 0.78 HPGD (1.00) HPGDALOX15TDP1CYP1A2CYP3A4
SCHEMBL1691553 0.78 CYP2C19 (0.49) CYP3A4CYP2C9CYP2C19L3MBTL1SMN1; SMN2

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
EP-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 — — EP claimed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 — — WO claimed
EP-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 — — EP disclosed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 — — WO disclosed
Send feedback