SCHEMBL9545865

SCHEMBL9545865

[NH]C(=O)c1ccccc1C([NH])=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
ALOX15 P16050 2/20 0.53
KDM4E B2RXH2 4/20 0.48
TSHR P16473 4/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
NAPRT Q6XQN6 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HMGB1 P09429 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL1498147 0.89 ALDH1A1 (0.74) ALDH1A1ALOX15KDM4EHPGDMAPT
SCHEMBL7440681 0.87 ALDH1A1 (0.62) ALDH1A1ALOX15KDM4ETSHRHPGD
SCHEMBL875217 0.83 KDM4E (0.65) ALDH1A1ALOX15KDM4ETSHRHPGD
SCHEMBL5707058 0.83 ALDH1A1 (0.43) ALDH1A1ALOX15KDM4ETSHRHPGD
SCHEMBL5782883 0.81 NPC1 (0.47) ALDH1A1ALOX15KDM4EHPGDMAPT
SCHEMBL10894049 0.81 ALDH1A1 (0.42) ALDH1A1ALOX15KDM4ETSHRHPGD
SCHEMBL11101821 0.81 MEN1 (0.50) ALDH1A1ALOX15KDM4ETSHRHPGD
SCHEMBL734717 0.81 HPGD (0.50) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1498123 0.81 CES2 (0.65) ALDH1A1KDM4ETSHRHPGDCES2
SCHEMBL826784 0.81 MAPT (0.62) ALDH1A1ALOX15KDM4ETSHRHPGD

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
WO-1993025212-A1 POLYOXYMETHYLENE-OXYETHYLENE COPOLYMERS IN CONJUNCTION WITH BIOMOLECULES AMGEN INC. (US) 1993-12-23 WO disclosed