SCHEMBL9138157

SCHEMBL9138157

O=S(=O)(NCn1nnc2ccccc21)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 5/20 0.51
▸ GRM2 Q14416 2/20 0.50
▸ RPS6KA3 P51812 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ APAF1 O14727 1/20 0.49
▸ EGLN3 Q9H6Z9 1/20 0.49
▸ RAB9A P51151 4/20 0.48
▸ MGAM O43451 1/20 0.48
▸ AMY1A P0DUB6 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ SI P14410 1/20 0.48
▸ MGAM2 Q2M2H8 1/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PTGES O14684 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46

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
SCHEMBL9091451 0.88 RAB9A (0.50) RPS6KA3POLBAPAF1EGLN3RAB9A
SCHEMBL9138969 0.79 PTGES (0.49) GRM2GAAALDH1A1PTGESSMN1; SMN2
SCHEMBL13604204 0.77 SLC9A1 (0.55) SLC9A1GRM2POLBAPAF1EGLN3
SCHEMBL3403852 0.76 SLC9A1 (0.63) SLC9A1GRM2RPS6KA3POLBEGLN3
SCHEMBL14336029 0.75 SLC9A1 (0.53) SLC9A1GRM2POLBAPAF1EGLN3
SCHEMBL2494163 0.74 RPS6KA3 (0.77) SLC9A1GRM2RPS6KA3POLBAPAF1
SCHEMBL23066417 0.74 EGLN3 (0.60) SLC9A1GRM2RPS6KA3POLBAPAF1
SCHEMBL4394588 0.74 SLC9A1 (0.55) SLC9A1POLBCYP1A2CYP2C19ALDH1A1
SCHEMBL4083657 0.73 SLC9A1 (0.65) SLC9A1GRM2RPS6KA3POLBEGLN3
SCHEMBL9618157 0.73 RPS6KA3 (0.84) SLC9A1GRM2RPS6KA3POLBEGLN3

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-5441563-A Antifoam agents in printing inks ARMSTRONG WORLD INDUSTRIES, INC. (US) 1995-08-15 — — US claimed
US-5441563-A Antifoam agents in printing inks ARMSTRONG WORLD INDUSTRIES, INC. (US) 1995-08-15 — — US disclosed
Send feedback