SCHEMBL22019380

SCHEMBL22019380

O=C(CSc1nnc(-c2ccoc2)n1-c1ccc(F)cc1)NC1=CC=CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.47
RECQL P46063 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL13831163 0.81 TP53 (0.65) ALDH1A1LMNAPOLBHSD17B10KMT2A
SCHEMBL22018984 0.80 ALDH1A1 (0.41) ALDH1A1LMNAPOLBSMN1; SMN2HSD17B10
SCHEMBL13831817 0.71 TP53 (0.74) ALDH1A1LMNARECQLPOLBHSD17B10
SCHEMBL13831156 0.71 TP53 (0.62) ALDH1A1LMNAPOLBHSD17B10KMT2A
SCHEMBL22019363 0.68 ALDH1A1 (0.49) ALDH1A1LMNARECQLSMN1; SMN2HSD17B10
SCHEMBL13831342 0.68 MAPT (0.75) ALDH1A1LMNAPOLBTSHRTP53
SCHEMBL22018914 0.68 LMNA (0.44) ALDH1A1LMNAKMT2AMEN1TP53
SCHEMBL13831407 0.67 POLB (0.68) ALDH1A1RECQLPOLBHSD17B10KMT2A
SCHEMBL22019616 0.66 ALDH1A1 (0.45) ALDH1A1LMNARECQLSMN1; SMN2KMT2A
SCHEMBL13831110 0.66 TSHR (0.67) ALDH1A1RECQLPOLBSMN1; SMN2HSD17B10

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed