SCHEMBL4739727

SCHEMBL4739727

O=C1Cc2c([nH]c3ccccc23)C=N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 6/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
GSK3B P49841 3/20 0.41
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 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
SCHEMBL3348614 0.72 MEN1 (0.45) MEN1KMT2AHSD17B10KDM4EHPGD
SCHEMBL3055898 0.70 KDM4E (0.45) MEN1KMT2AHSD17B10KDM4EHPGD
SCHEMBL678673 0.69 HTR2C (0.54) MEN1KMT2AHSD17B10KDM4EHPGD
SCHEMBL14355018 0.67 KDM4E (0.57) MEN1KMT2AHSD17B10KDM4EHPGD
SCHEMBL296017 0.65 HSD17B10 (0.48) MEN1KMT2AHSD17B10KDM4EHPGD
SCHEMBL30569666 0.64 HTR2A (0.57) MEN1KMT2AHSD17B10KDM4ECYP1A2
SCHEMBL1120971 0.64 HTR2A (0.57) MEN1KMT2AHSD17B10KDM4ECYP1A2
SCHEMBL30569664 0.64 HTR2A (0.57) MEN1KMT2AHSD17B10KDM4ECYP1A2
SCHEMBL10019851 0.64 HTR2A (0.57) MEN1KMT2AHSD17B10KDM4ECYP1A2
SCHEMBL6529801 0.62 HTR2A (0.54) MEN1KMT2AHSD17B10KDM4EHPGD

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
WO-2008125658-A1 4,5,11,11A-TETRAHYDRO-1H,6H-OXAZOLO[3',4':1,6]PYRIDO[3,4-B]INDOL-3-ONE DERIVATIVES AND THERAPEUTIC USE THEREOF FOURTILLAN (FR) 2008-10-23 WO disclosed
WO-2008101824-A1 IMIDAZO[1',5':1,6] PYRIDO[3,4-B]INDOLES DERIVATIVES AND THERAPEUTICAL USE THEREOF FOURTILLAN (FR) 2008-08-28 WO disclosed