SCHEMBL29952936

SCHEMBL29952936

CC(=O)c1cnc(C)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 10/20 0.41

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
SCHEMBL6052889 0.88 HCAR2 (0.48) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL30668508 0.88 HCAR2 (0.48) KDM4EKMT2AGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL28615786 0.86 HCAR2 (0.47) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL846092 0.85 SMN1; SMN2 (0.50) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL9315419 0.81 KDM4E (0.41) KDM4EGABRPGABRDGABRA1GABRB1
Formamide SCHEMBL28252276 0.80 KDM4E (0.45) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL612856 0.78 KDM4E (0.48) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL6628143 0.78 SMN1; SMN2 (0.40) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL28524469 0.78 KDM4E (0.42) KDM4EKMT2AGABRPGABRDGABRA1
Pyridine SCHEMBL10770508 0.78 HCAR2 (0.43) KDM4EKMT2AGABRPGABRDGABRA1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed