SCHEMBL29678965

SCHEMBL29678965

CCn1sc2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 1.00
FAAH O00519 2/20 0.66
MGLL Q99685 2/20 0.66
G6PD P11413 1/20 0.58
KAT2A Q92830 1/20 0.55
KAT2B Q92831 1/20 0.55

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
SCHEMBL3143600 1.00 CASP3 (1.00) CASP3FAAHMGLLG6PDKAT2A
SCHEMBL358740 0.85 FAAH (0.77) CASP3FAAHMGLLG6PDKAT2A
SCHEMBL11278746 0.84 CASP3 (0.74) CASP3FAAHMGLLG6PDKAT2A
SCHEMBL17948304 0.84 CASP3 (0.72) CASP3FAAHMGLLKAT2AKAT2B
Alcohol SCHEMBL28664257 0.84 CASP3 (0.72) CASP3FAAHMGLLG6PDKAT2A
SCHEMBL16601156 0.82 FAAH (0.88) CASP3FAAHMGLLG6PDKAT2A
SCHEMBL203818 0.82 FAAH (0.88) CASP3FAAHMGLLG6PDKAT2A
SCHEMBL29370720 0.82 FAAH (0.88) CASP3FAAHMGLLG6PDKAT2A
SCHEMBL7630656 0.81 CASP3 (0.68) CASP3FAAHMGLLG6PDKAT2A
SCHEMBL3147758 0.81 FAAH (0.97) CASP3FAAHMGLLG6PDKAT2A

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-2022131253-A1 NON-AQUEOUS SECONDARY BATTERY POLYMER COMPOSITION AND NON-AQUEOUS SECONDARY BATTERY 旭化成株式会社 2022-06-23 WO disclosed