SCHEMBL9181799

SCHEMBL9181799

CCC(C)c1cc(N=Nc2ccccc2[N+](=O)[O-])cc(C(C)CC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PLAU P00749 1/20 0.40
CES2 O00748 2/20 0.39
ACHE P22303 2/20 0.39
CES1 P23141 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNB2 O95067 1/20 0.38

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
SCHEMBL9181796 1.00 PTPN11 (0.43) PTPN11NPC1RAB9ATSHRTDP1
SCHEMBL9182683 0.86 TDP1 (0.45) NPC1RAB9ATSHRTDP1MAPT
SCHEMBL9182692 0.86 TDP1 (0.45) NPC1RAB9ATSHRTDP1MAPT
SCHEMBL5186248 0.83 PTPN11 (0.40) PTPN11NPC1RAB9ATSHRTDP1
SCHEMBL9260980 0.83 PTPN11 (0.40) PTPN11NPC1RAB9ATSHRTDP1
SCHEMBL9179165 0.81 MEN1 (0.48) NPC1RAB9ATDP1MAPTMAPK1
SCHEMBL9179169 0.81 MEN1 (0.48) NPC1RAB9ATDP1MAPTMAPK1
SCHEMBL9181637 0.81 ALDH1A1 (0.46) NPC1RAB9ATSHRTDP1MAPT
SCHEMBL9182718 0.81 VCAM1 (0.43) NPC1RAB9ATDP1MAPTMEN1
SCHEMBL9181643 0.81 ALDH1A1 (0.46) NPC1RAB9ATSHRTDP1MAPT

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-0509818-B1 Silent markers for petroleum, method of tagging, and method of detection MORTON INT INC (US) 1995-07-26 EP claimed