SCHEMBL19209596

SCHEMBL19209596

FC(F)(F)Oc1cccc2c(Nc3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)nc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
IGF1R P08069 1/20 0.40
TRPA1 O75762 1/20 0.40
GAK O14976 2/20 0.38
EPHX2 P34913 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
TEAD1 P28347 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 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
SCHEMBL19209595 0.77 NPSR1 (0.38) TRPA1POLBNPSR1TNKSTNKS2
SCHEMBL2859753 0.77 NPSR1 (0.43) IGF1RTRPA1POLBNPSR1
SCHEMBL2849310 0.76 POLB (0.42) ABCG2IGF1RTRPA1EPHX2POLB
SCHEMBL19209583 0.69 MAOB (0.39) POLBNPSR1
SCHEMBL16481037 0.68 ALDH1A1 (0.65) ACP1ABCG2EPHX2MEN1KMT2A
SCHEMBL30804591 0.68 ALDH1A1 (0.65) ACP1ABCG2EPHX2MEN1KMT2A
SCHEMBL13135661 0.68 KDM4E (0.57) MEN1KMT2A
SCHEMBL2855235 0.68 ADRB2 (0.61) POLBNPSR1
SCHEMBL19209593 0.67 GAA (0.52) ACP1ABCG2IGF1RGAKMEN1
SCHEMBL3952773 0.65 TNKS (0.47) MEN1KMT2ARAB9ANPSR1TNKS

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
WO-2017136642-A1 ANTIBIOTIC COMPOSITIONS THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2017-08-10 WO disclosed
WO-2017136642-A1 ANTIBIOTIC COMPOSITIONS THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2017-08-10 WO disclosed