SCHEMBL9459402

SCHEMBL9459402

C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
KCNH2 Q12809 1/20 0.56
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
ELANE P08246 1/20 0.44
CA2 P00918 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9459738 1.00 ESR1 (0.56) ESR1KCNH2MEN1KMT2APOLB
SCHEMBL9459728 1.00 ESR1 (0.56) ESR1KCNH2MEN1KMT2APOLB
SCHEMBL9180429 0.87 MEN1 (0.47) ESR1KCNH2MEN1KMT2APOLB
SCHEMBL3341416 0.79 MEN1 (0.55) MEN1KMT2APOLBCYP2C19NPC1
SCHEMBL9459072 0.77 ESR1 (0.60) ESR1KCNH2MEN1KMT2APOLB
SCHEMBL6294901 0.77 ALDH1A1 (0.51) KCNH2MEN1KMT2APOLBCYP2C19
Hydrochloric Acid SCHEMBL9219131 0.76 ALDH1A1 (0.50) MEN1KMT2APOLBCYP2C19NPC1
SCHEMBL7306213 0.76 POLB (0.49) MEN1KMT2APOLBCYP2C19NPC1
SCHEMBL11691410 0.76 KMT2A (0.61) ESR1KCNH2MEN1KMT2AMMP1
SCHEMBL11691407 0.76 KMT2A (0.61) ESR1KCNH2MEN1KMT2AMMP1

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-5262333-A Fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1993-11-16 US disclosed