SCHEMBL8475087

SCHEMBL8475087

c1ccc(-c2nc3cc(C4=NCCCN4)ccc3[nH]2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
PKM P14618 4/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 1/20 0.55
METAP2 P50579 9/20 0.52
METAP1 P53582 7/20 0.52
HPGD P15428 2/20 0.52
MTOR P42345 1/20 0.52
CBFB Q13951 9/20 0.50
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NISCH Q9Y2I1 2/20 0.46
TSHR P16473 1/20 0.46
RUNX1 Q01196 1/20 0.44

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
SCHEMBL8477890 0.93 NPC1 (0.58) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL548420 0.89 NISCH (0.46) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL13866553 0.82 NPC1 (0.74) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL7191697 0.82 NISCH (0.41) NPC1RAB9AKDM4EKMT2AGAA
SCHEMBL548343 0.82 NISCH (0.50) NISCH
SCHEMBL8677423 0.82 NISCH (0.50) NISCH
SCHEMBL8475093 0.80 NPC1 (0.50) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL8164925 0.80 GAA (0.50) KMT2AMETAP2METAP1CBFBGAA
SCHEMBL548421 0.80 GAA (0.50) KMT2AMETAP2METAP1CBFBGAA
SCHEMBL10351277 0.79 NPC1 (0.68) NPC1RAB9APKMLMNASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939440-A FUNGICIDES AND BACTERICIDES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-08-17 US claimed
US-5792782-A TREATING CRYPTOCOCCUS NEOFORMANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-08-11 US claimed
US-5939440-A FUNGICIDES AND BACTERICIDES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-08-17 US disclosed
US-5935982-A ADMINISTERING ARYLENEBIS((AMIDINO)-2-BENZIMIDAZOLE) DERIVATIVES TO TREAT HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-08-10 US disclosed
US-5817687-A LEUKEMIA THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-10-06 US disclosed
US-5817686-A CANDIDA ALBICANS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-10-06 US disclosed
US-5792782-A TREATING CRYPTOCOCCUS NEOFORMANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-08-11 US disclosed