SCHEMBL8032996

SCHEMBL8032996

Cn1[c]nc2cc(C(=O)c3cccs3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
HTT P42858 2/20 0.44
HPGDS O60760 1/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
ALOX5 P09917 1/20 0.44
NPC1 O15118 5/20 0.42
CYP2C9 P11712 3/20 0.42
TP53 P04637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
ABL1 P00519 2/20 0.42
GMNN O75496 1/20 0.42
TUBB4A P04350 1/20 0.42
CYP1A2 P05177 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
NFKB1 P19838 1/20 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
SCHEMBL5983851 0.76 FGFR1 (0.46) HPGDHTTNPC1ALDH1A1MAPT
SCHEMBL5981807 0.75 KDM4E (0.49) ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL5982863 0.72 THRB (0.46) HPGDMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10379900 0.71 HPGD (0.47) HPGDHTTHPGDSPTGS1PTGS2
SCHEMBL9482914 0.70 NPC1 (0.49) HPGDHTTHPGDSPTGS1PTGS2
SCHEMBL6793430 0.70 HPGDS (0.83) HPGDHTTHPGDSPTGS1PTGS2
SCHEMBL29615085 0.69 HPGD (0.66) HPGDHTTHPGDSPTGS1PTGS2
Carbamic Acid SCHEMBL3434151 0.69 NPC1 (0.51) HPGDHTTHPGDSPTGS1PTGS2
SCHEMBL5696324 0.68 NPC1 (0.49) HPGDHTTHPGDSPTGS1PTGS2
SCHEMBL1108963 0.68 NPC1 (0.54) HPGDHTTHPGDSPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980256-A2 THE USE OF BIOLOGICALLY ACTIVE SUBSTANCES FOR INFLUENCING THE EXTRACELLULAR AREA OF SENSORY CELLS AND METHOD FOR CONTROLLING THE ADMINISTRATION OF ACTIVE SUBSTANCES AND DEVICE USED THEREIN Eckmiller, Marion Sangster (DE) 2000-02-23 EP disclosed
WO-1998050065-A2 THE USE OF BIOLOGICALLY ACTIVE SUBSTANCES FOR INFLUENCING THE EXTRACELLULAR AREA OF SENSORY CELLS AND METHOD FOR CONTROLLING THE ADMINISTRATION OF ACTIVE SUBSTANCES AND DEVICE USED THEREIN ECKMILLER MARION SANGSTER (DE) 1998-11-12 WO disclosed