SCHEMBL24166637

SCHEMBL24166637

CC(I)OCCn1cnc2ccc(N)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.55
▸ P2RX3 P56373 3/20 0.45
▸ LMNA P02545 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL30656791 0.90 TNF (0.57) TNFP2RX3LMNAGAARAB9A
SCHEMBL24166094 0.90 TNF (0.57) TNFP2RX3LMNAGAARAB9A
SCHEMBL30656849 0.84 TNF (0.61) TNFP2RX3LMNAGAARAB9A
SCHEMBL24165915 0.84 TNF (0.61) TNFP2RX3LMNAGAARAB9A
SCHEMBL30656806 0.81 TNF (0.65) TNFP2RX3LMNAGAARAB9A
SCHEMBL24165897 0.81 TNF (0.65) TNFP2RX3LMNAGAARAB9A
SCHEMBL30656858 0.79 TNF (0.65) TNFP2RX3LMNAGAARAB9A
SCHEMBL24166489 0.79 TNF (0.65) TNFP2RX3LMNAGAARAB9A
SCHEMBL24166075 0.77 TNF (0.69) TNFP2RX3LMNARAB9AMAPT
SCHEMBL30656837 0.77 TNF (0.69) TNFP2RX3LMNARAB9AMAPT

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-2022003712-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-01-06 — — WO disclosed
Send feedback