SCHEMBL22018984

SCHEMBL22018984

O=C(CSc1nnc(-c2ccoc2)n1CC1OCCO1)NC1=CC=CCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL15983364 0.81 TP53 (0.53) ALDH1A1GAASMN1; SMN2TDP1HSD17B10
SCHEMBL22019380 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TDP1HSD17B10L3MBTL1
SCHEMBL22019363 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HSD17B10TSHRUSP2
SCHEMBL13831929 0.73 TP53 (0.64) ALDH1A1GAASMN1; SMN2TDP1HSD17B10
SCHEMBL22018910 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1TSHRUSP2
SCHEMBL22019616 0.70 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRUSP2LMNA
SCHEMBL13831347 0.70 TDP1 (0.64) ALDH1A1GAASMN1; SMN2TDP1L3MBTL1
SCHEMBL22018795 0.70 KMT2A (0.53) ALDH1A1GAASMN1; SMN2TDP1HPGD
SCHEMBL22019358 0.68 KMT2A (0.45) ALDH1A1HSD17B10USP2LMNAKMT2A
SCHEMBL22018940 0.68 ALDH1A1 (0.54) ALDH1A1L3MBTL1USP2LMNAPOLB

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