SCHEMBL31199151

SCHEMBL31199151

S=c1ncc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HSP90AA1 P07900 1/20 0.45
IDO1 P14902 1/20 0.45
CDK2 P24941 1/20 0.45
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
PSMB8 P28062 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCB1 P08183 1/20 0.39
AOC3 Q16853 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39

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
SCHEMBL314062 1.00 ALDH1A1 (0.48) ALDH1A1HSP90AA1IDO1CDK2KDM4E
Pyrazine SCHEMBL28408989 0.92 ALDH1A1 (0.42) ALDH1A1HSP90AA1IDO1CDK2KDM4E
Chlorobenzene SCHEMBL27916479 0.89 MAPT (0.41) ALDH1A1HSP90AA1IDO1CDK2KDM4E
Toluene SCHEMBL27916507 0.89 ALDH1A1 (0.40) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL29494969 0.76 HSP90AA1 (0.46) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL29906639 0.76 HSP90AA1 (0.46) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL10417 0.74 CA12 (0.48) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL29371690 0.74 CA12 (0.48) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL1568727 0.74 HSP90AA1 (0.45) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL28015378 0.74 CA12 (0.48) ALDH1A1HSP90AA1IDO1CDK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240374769-A1 LIGHT ACTIVATED CLEANING COMPOSITION THE PROCTER & GAMBLE COMPANY 2024-11-14 US claimed
WO-2024233595-A1 LIGHT ACTIVATED CLEANING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2024-11-14 WO claimed
EP-4081523-B1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2024-12-25 EP disclosed
US-20240374769-A1 LIGHT ACTIVATED CLEANING COMPOSITION THE PROCTER & GAMBLE COMPANY 2024-11-14 US disclosed
WO-2024233595-A1 LIGHT ACTIVATED CLEANING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2024-11-14 WO disclosed