SCHEMBL4935173

SCHEMBL4935173

CCC1c2cncn2-c2ccc(NC(=O)C(C)C)cc2-c2ncnn21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.51
GABRB3 P28472 6/20 0.51
GABRA5 P31644 6/20 0.51
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
FGFR1 P11362 1/20 0.32

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
SCHEMBL5821397 0.76 GABRG2 (0.64) GABRG2GABRB3GABRA5
SCHEMBL3574029 0.67 GABRG2 (1.00) GABRG2GABRB3GABRA5
SCHEMBL3871909 0.65 GABRG2 (0.68) GABRG2GABRB3GABRA5
SCHEMBL6260912 0.58 KDM4E (1.00) KDM4EALDH1A1GLAKMT2AMEN1
SCHEMBL16252551 0.56 SMN1; SMN2 (0.54) KDM4EALDH1A1KMT2AMEN1CYP2C19
SCHEMBL24671110 0.56 SMN1; SMN2 (0.57) KDM4EALDH1A1KMT2AMEN1CYP2C19
SCHEMBL18880072 0.56 ALDH1A1 (0.73) KDM4EALDH1A1GLAKMT2AMEN1
SCHEMBL8737928 0.56 POLB (0.61) KDM4EALDH1A1GLAKMT2AMEN1
SCHEMBL16252564 0.55 SMARCA2 (0.58) KDM4EALDH1A1GLAKMT2AMEN1
SCHEMBL25900637 0.55 KMT2A (0.53) KDM4EALDH1A1GLAKMT2AMEN1

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
JP-2008515941-A 2008-05-15 JP claimed
EP-1809297-A1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-07-25 EP claimed