SCHEMBL11286353

SCHEMBL11286353

O=C=NC(=O)c1c(Cl)cccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
FEN1 P39748 1/20 0.39
F2R P25116 1/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
KMT2A Q03164 2/20 0.33
JAK2 O60674 1/20 0.33
CYP3A4 P08684 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL11279353 0.87 SLC9A1 (0.33) HPGDNPC1
SCHEMBL7754721 0.87 ALDH1A1 (0.50) ALDH1A1FEN1HPGDNPC1GLA
SCHEMBL11274036 0.79 CES2 (0.44) ALDH1A1HPGDTDP1NPC1KMT2A
SCHEMBL15540354 0.79 ALDH1A1 (0.42) ALDH1A1FEN1HPGDNPC1GLA
SCHEMBL15541038 0.79 TYK2 (0.44) ALDH1A1FEN1HPGDNPC1GLA
SCHEMBL4158394 0.79 GAA (0.47) ALDH1A1HPGDPOLBKMT2AJAK2
SCHEMBL7218300 0.76 ALDH1A1 (0.39) ALDH1A1FEN1HPGDL3MBTL1NPC1
SCHEMBL11566624 0.74 DPP4 (0.36) ALDH1A1FEN1TDP1POLBCYP3A4
SCHEMBL2844436 0.74 ALDH1A1 (0.71) ALDH1A1FEN1F2RHPGDTDP1
SCHEMBL696250 0.74 ALDH1A1 (0.52) ALDH1A1FEN1F2RHPGDTDP1

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
US-4366155-A 1-Benzoyl-3-(6-oxopyridazinyl)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-12-28 US disclosed
EP-0063413-A1 1-Benzoyl-3-(heterocyclic)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-10-27 EP disclosed