SCHEMBL28041004

SCHEMBL28041004

CCCCCC1=c2ccccc2=NC1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
KCNH2 Q12809 1/20 0.37
PTPN1 P18031 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 10/20 0.35

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
SCHEMBL10502356 0.88 ATM (0.39) ATMSMN1; SMN2ALDH1A1MAPT
SCHEMBL9373616 0.83 MAPT (0.36) ATMALDH1A1MAPTTDP1ALOX5
SCHEMBL3520478 0.80 ATM (0.38) ATMSMN1; SMN2ALDH1A1MAPT
SCHEMBL29012480 0.77 MAPT (0.39) ATMSMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL29012467 0.77 MAPT (0.36) ATMSMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL10549543 0.77 GPR84 (0.35) CTSVCTSLKCNH2GPR84SMN1; SMN2
SCHEMBL28058464 0.77 NLRP3 (0.43) ATMSMN1; SMN2ALDH1A1MAPT
SCHEMBL6686096 0.75 ATM (0.37) CTSVCTSLKCNH2PTPN1ATM
SCHEMBL8627608 0.75 PTPN1 (0.34) CTSVCTSLKCNH2PTPN1GPR84
SCHEMBL10911386 0.73 KAT2B (0.35) ATMSMN1; SMN2ALDH1A1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085369-A 3-aryloxoindole derivative and synthetic method thereof UNIV EAST CHINA NORMAL 2015-11-25 CN disclosed
CN-105085369-A 3-aryloxoindole derivative and synthetic method thereof UNIV EAST CHINA NORMAL 2015-11-25 CN disclosed