SCHEMBL7214971

SCHEMBL7214971

O=c1ccc(=O)c2c3ccccc3c1=2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.55
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 5/20 0.42
CYP2A6 P11509 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 2/20 0.39
MAOB P27338 1/20 0.39
FTO Q9C0B1 1/20 0.39
HPRT1 P00492 1/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
GLA P06280 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3275756 0.81 PAX8 (0.44) PAX8ALDH1A1HSD17B10MAOAMAOB
SCHEMBL15732920 0.73 ALDH1A1 (0.43) PAX8ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL5100540 0.71 PAX8 (1.00) PAX8ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL11301205 0.71 PAX8 (0.46) PAX8ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL20783635 0.71 ALDH1A1 (0.42) PAX8ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL8856454 0.69 ALDH1A1 (0.46) PAX8ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1133100 0.69 KDM4E (0.48) ALDH1A1HSD17B10HPGDKDM4EGLA
SCHEMBL927812 0.67 ALDH1A1 (0.50) PAX8ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL4311602 0.67
SCHEMBL5316204 0.67 ALDH1A1 (0.39) PAX8ALDH1A1HSD17B10TDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6621098-B1 Thin-film transistor and methods of manufacturing and incorporating a semiconducting organic material THE PENN STATE RESEARCH FOUNDATION 2003-09-16 US claimed
CN-104736700-A Compositions and methods comprising lipolytic enzyme variants DANISCO US INC 2015-06-24 CN disclosed
US-6621098-B1 Thin-film transistor and methods of manufacturing and incorporating a semiconducting organic material THE PENN STATE RESEARCH FOUNDATION 2003-09-16 US disclosed