SCHEMBL25041345

SCHEMBL25041345

CC(C)c1ccc(/C=N/n2cnnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 1.00
AMY1A P0DUB6 8/20 0.66
PKM P14618 1/20 0.60
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 1/20 0.58
MAPT P10636 3/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 1/20 0.55
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.47

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
SCHEMBL24727973 0.76 AMY1A (1.00) NPSR1AMY1APKMALDH1A1MAPT
SCHEMBL25039071 0.75 SMN1; SMN2 (0.64) NPSR1AMY1APKMALDH1A1MAPK1
SCHEMBL2494935 0.75 LMNA (0.79) NPSR1AMY1APKMALDH1A1MAPK1
SCHEMBL2494933 0.75 LMNA (0.79) NPSR1AMY1APKMALDH1A1MAPK1
SCHEMBL2491401 0.73 AMY1A (0.63) NPSR1AMY1APKMALDH1A1MAPT
SCHEMBL8443827 0.71 AMY1A (0.61) NPSR1AMY1APKMALDH1A1MAPT
SCHEMBL8443830 0.71 AMY1A (0.61) NPSR1AMY1APKMALDH1A1MAPT
SCHEMBL12435339 0.70 GRIN2D (0.55) NPSR1PKMALDH1A1MAPK1MAPT
SCHEMBL13381727 0.69 MAPT (1.00) NPSR1AMY1APKMALDH1A1MAPT
SCHEMBL2164208 0.69 GRIN2D (0.58) NPSR1ALDH1A1MAPK1MAPTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240352260-A1 CORROSION INHIBITION COMPOSITIONS AND ASSOCIATED METHODS FOR INHIBITING CORROSION ON METALLIC SUBSTRATES THE BOEING COMPANY (US) 2024-10-24 US disclosed
US-12031058-B2 Corrosion inhibition compositions and associated methods for inhibiting corrosion on metallic substrates THE BOEING COMPANY (US) 2024-07-09 US disclosed
US-12031058-B2 Corrosion inhibition compositions and associated methods for inhibiting corrosion on metallic substrates THE BOEING COMPANY (US) 2024-07-09 US disclosed
US-12031058-B2 Corrosion inhibition compositions and associated methods for inhibiting corrosion on metallic substrates THE BOEING COMPANY (US) 2024-07-09 US disclosed
US-20230052367-A1 CORROSION INHIBITION COMPOSITIONS AND ASSOCIATED METHODS FOR INHIBITING CORROSION ON METALLIC SUBSTRATES THE BOEING COMPANY (US) 2023-02-16 US disclosed
US-20230052367-A1 CORROSION INHIBITION COMPOSITIONS AND ASSOCIATED METHODS FOR INHIBITING CORROSION ON METALLIC SUBSTRATES THE BOEING COMPANY (US) 2023-02-16 US disclosed