SCHEMBL4015946

SCHEMBL4015946

O=C(Nc1ncc(Cc2ccc([N+](=O)[O-])cc2)s1)c1coc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.55
KMT2A Q03164 12/20 0.55
MAPT P10636 12/20 0.55
LMNA P02545 9/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
RAB9A P51151 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
POLB P06746 2/20 0.50
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 4/20 0.48
TP53 P04637 2/20 0.48
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47

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
SCHEMBL13768201 0.87 RAB9A (0.52) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4163968 0.86 NPC1 (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4015480 0.86 ABL1 (0.60) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4006499 0.85 MEN1 (0.53) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4011924 0.85 LMNA (0.53) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL13768428 0.85 NPC1 (0.50) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL13768412 0.84 RAB9A (0.49) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4012432 0.84 LMNA (0.52) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4009339 0.83 NPC1 (0.48) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4009959 0.83 MAOB (0.52) MEN1KMT2AMAPTLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed