SCHEMBL9543049

SCHEMBL9543049

O=[N+]([O-])c1ccc(CC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
KCNJ1 P48048 1/20 0.39
MMP2 P08253 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MC4R P32245 1/20 0.37
KIF11 P52732 1/20 0.36

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
SCHEMBL5799865 0.75 MEN1 (0.46) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL7761586 0.72 TSHR (0.49) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL5577227 0.71 MEN1 (0.46) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL7896517 0.70 KCNN4 (0.36) TP53CYP1A2CYP2C19KIF11
SCHEMBL27906322 0.67 MEN1 (0.51) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL1023274 0.66 TSHR (0.57) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL11262646 0.65 CYP1A2 (0.54) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL342479 0.65 KCNJ1 (0.44) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL27432103 0.65 PTPRF (0.61) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL7141466 0.65 CYP1A2 (0.67) MEN1KMT2ANPC1TP53RAB9A

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
WO-1993008211-A1 TRIPEPTIDE DERIVATIVE ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1993-04-29 WO disclosed