SCHEMBL7962243

SCHEMBL7962243

CN(C)c1nc(O)c2ccccn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 2/20 0.41
▸ RAD51 Q06609 2/20 0.38
▸ BAZ2B Q9UIF8 4/20 0.37
▸ BAZ2A Q9UIF9 4/20 0.37
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ BRD4 O60885 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
SCHEMBL20674534 0.77 PTPN2 (0.44) BAZ2BBAZ2APTPN2PTPN1ALDH1A1
SCHEMBL25970044 0.75 PTPN2 (0.37) USP7RAD51BAZ2BBAZ2APTPN2
SCHEMBL20674632 0.71 USP7 (0.41) USP7BAZ2BBAZ2APTPN2PTPN1
SCHEMBL25970052 0.71 MAT2A (0.41) USP7RAD51BAZ2BBAZ2AALDH1A1
SCHEMBL20674636 0.70 SSTR4 (0.36) BAZ2BBAZ2APTPN2PTPN1ALDH1A1
SCHEMBL20674622 0.70 TDP1 (0.46) USP7PTPN2PTPN1ALDH1A1GAA
SCHEMBL20674621 0.70 BAZ2B (0.46) BAZ2BBAZ2AALDH1A1KDM4EGAA
SCHEMBL20674634 0.69 KDM4E (0.41) BAZ2BBAZ2AALDH1A1KDM4EGAA
SCHEMBL20674631 0.69 BAZ2B (0.41) BAZ2BBAZ2APTPN2PTPN1ALDH1A1
SCHEMBL24734786 0.68 PTPN1 (0.61) RAD51PTPN2PTPN1ALDH1A1KDM4E

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
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