SCHEMBL9755023

SCHEMBL9755023

CCCCCc1nccnc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37

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
SCHEMBL3614621 0.98 KDM4E (0.41) KDM4EMEN1KMT2ALMNACYP3A4
SCHEMBL3924183 0.98 KDM4E (0.41) KDM4EMEN1KMT2ALMNACYP3A4
SCHEMBL6710510 0.95 GABRP (0.41) KDM4EMEN1KMT2ALMNACYP3A4
SCHEMBL21439468 0.87 SMN1; SMN2 (0.37) KDM4EMEN1KMT2ALMNACYP3A4
SCHEMBL31046847 0.87 SMN1; SMN2 (0.37) KDM4EMEN1KMT2ALMNACYP3A4
SCHEMBL1082565 0.86 HCAR2 (0.41) KDM4EMEN1KMT2ALMNACYP3A4
SCHEMBL22202360 0.86 KDM4E (0.39) KDM4ELMNACYP3A4GABRPGABRD
SCHEMBL3916646 0.84 RARB (0.43) KDM4EMEN1KMT2AGABRPGABRD
SCHEMBL8624574 0.84 RARB (0.43) KDM4EMEN1KMT2AGABRPGABRD
SCHEMBL3604705 0.84 RARB (0.43) KDM4EMEN1KMT2AGABRPGABRD

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
WO-1991005771-A1 LIPOPHILIC ACYLPYRAZINAMIDE PRODRUGS SCHREIER HANS (US) 1991-05-02 WO claimed
WO-1991005771-A1 LIPOPHILIC ACYLPYRAZINAMIDE PRODRUGS SCHREIER HANS (US) 1991-05-02 WO disclosed
WO-1991005771-A1 LIPOPHILIC ACYLPYRAZINAMIDE PRODRUGS SCHREIER HANS (US) 1991-05-02 WO disclosed