SCHEMBL7962630

SCHEMBL7962630

CN(C)c1ncc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.50
ALDH1A1 P00352 12/20 0.50
MAPT P10636 8/20 0.50
TDP1 Q9NUW8 2/20 0.50
CHEK1 O14757 1/20 0.50
LIMK1 P53667 1/20 0.50
MAPK14 Q16539 1/20 0.50
HPGD P15428 6/20 0.46
HSD17B10 Q99714 3/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
RAB9A P51151 8/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 4/20 0.45
MAPK1 P28482 3/20 0.45
POLB P06746 1/20 0.44
GFER P55789 1/20 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
SCHEMBL6840370 0.74 ALDH1A1 (0.60) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL9399636 0.73 KDM4E (0.46) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL25243301 0.70 PDE10A (0.46) KDM4EALDH1A1MAPTTDP1CHEK1
Iodomethane SCHEMBL9399521 0.70 KDM4E (0.44) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL334476 0.69 KDM4E (0.55) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL3538954 0.69 KDM4E (0.55) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL20674503 0.69 KDM4E (0.55) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL23246964 0.69 KDM4E (0.55) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL10207538 0.69 KDM4E (0.58) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL19288598 0.69 KDM4E (0.55) KDM4EALDH1A1MAPTTDP1CHEK1

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-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 US disclosed
US-6087510-A Method of use of imidazolium cations THE ROCKEFELLER UNIVERSITY (US) 2000-07-11 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US disclosed