SCHEMBL6610072

SCHEMBL6610072

O=C(NCc1cccs1)Oc1cncnc1Oc1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.48
TSHR P16473 5/20 0.48
ALOX15 P16050 4/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP2D6 P10635 3/20 0.48
MAPK1 P28482 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2C9 P11712 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL6615636 0.86 NPC1 (0.40) HPGDTSHRALDH1A1CYP2D6MAPK1
SCHEMBL6612284 0.84 CYP1A2 (0.48) HPGDTSHRALDH1A1CYP2D6MAPK1
SCHEMBL6613895 0.84 ALDH1A1 (0.45) HPGDTSHRALOX15ALDH1A1CYP2D6
SCHEMBL6610452 0.82 NPC1 (0.38) HPGDTSHRALDH1A1CYP2D6MAPK1
SCHEMBL6610804 0.82 PDE4A (0.39) HPGDTSHRALDH1A1CYP2D6MAPK1
SCHEMBL6613488 0.82 HPGD (0.44) HPGDTSHRALOX15ALDH1A1CYP2D6
SCHEMBL6612753 0.81 ALDH1A1 (0.46) HPGDALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL6616317 0.80 ALDH1A1 (0.45) HPGDALDH1A1MAPK1SMN1; SMN2NPC1
SCHEMBL6614342 0.80 ALDH1A1 (0.45) HPGDALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL6611896 0.70 LMNA (0.45) HPGDTSHRALDH1A1MAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252157-B1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2004-06-23 EP claimed