SCHEMBL3374550

SCHEMBL3374550

N=C(N)N(N)C=CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
GABRR1 P24046 2/20 0.32
GABRR2 P28476 2/20 0.32
BLM P54132 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GABRP O00591 2/20 0.30

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
SCHEMBL18528437 0.74 TDP1 (0.40) TDP1ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL17234306 0.74 TDP1 (0.40) TDP1ALDH1A1CYP1A2MAPTCYP2C9
Fumaric Acid SCHEMBL9534912 0.70 TSHR (0.47) TDP1ALDH1A1CYP1A2MAPTCYP2C9
Maleic Acid SCHEMBL1072992 0.70 TSHR (0.64) TDP1ALDH1A1CYP1A2MAPTCYP2C9
Maleic Acid SCHEMBL10524567 0.70 TSHR (0.64) TDP1ALDH1A1CYP1A2MAPTCYP2C9
Fumaric Acid SCHEMBL19458332 0.70 TSHR (0.64) TDP1ALDH1A1CYP1A2MAPTCYP2C9
Maleic Acid SCHEMBL19458351 0.70 TSHR (0.64) TDP1ALDH1A1CYP1A2MAPTCYP2C9
Fumaric Acid SCHEMBL19458333 0.70 TSHR (0.64) TDP1ALDH1A1CYP1A2MAPTCYP2C9
Fumaric Acid SCHEMBL27621050 0.70 TSHR (0.64) TDP1ALDH1A1CYP1A2MAPTCYP2C9
Fumaric Acid SCHEMBL1072997 0.70 TSHR (0.64) TDP1ALDH1A1CYP1A2MAPTCYP2C9

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
EP-1417164-B1 METHOD FOR PRODUCING WATER-ABSORBENT RESINS BASF SE (DE) 2010-11-03 EP disclosed
EP-1506153-B1 METHOD FOR PRODUCING AN AQUEOUS ALKALI ACRYLATE SOLUTION BASF AG (DE) 2006-02-22 EP disclosed