SCHEMBL8134161

SCHEMBL8134161

O=[N+]([O-])C=C(NCc1ccccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
P2RX1 P51575 4/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
NR2E1 Q9Y466 3/20 0.43
RORA P35398 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TLR7 Q9NYK1 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
SCHEMBL8134160 1.00 TP53 (0.47) TP53MAPTTHRBKCNJ5KCNJ3
SCHEMBL8136466 0.85 RAB9A (0.46) TP53MAPTKCNJ5KCNJ3SMN1; SMN2
SCHEMBL8136468 0.85 RAB9A (0.46) TP53MAPTKCNJ5KCNJ3SMN1; SMN2
SCHEMBL8129106 0.82 MEN1 (0.47) MAPTP2RX1P2RX4P2RX7TMPRSS4
SCHEMBL8129109 0.82 MEN1 (0.47) MAPTP2RX1P2RX4P2RX7TMPRSS4
SCHEMBL3304422 0.77 MYC (0.67) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL8129144 0.73 P2RX1 (0.39) MAPTP2RX1TMPRSS4KMT2AMEN1
SCHEMBL8129143 0.73 P2RX1 (0.39) MAPTP2RX1TMPRSS4KMT2AMEN1
SCHEMBL8138758 0.73 ALDH1A1 (0.41) MAPTP2RX1TMPRSS4SMN1; SMN2KMT2A
SCHEMBL8138760 0.73 ALDH1A1 (0.41) MAPTP2RX1TMPRSS4SMN1; SMN2KMT2A

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-6147098-A USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM NOVO NORDISK A/S (DK) 2000-11-14 US disclosed