SCHEMBL13758985

SCHEMBL13758985

CCCN(CCC)c1cc(Nc2ccc3[nH]c4c(c3c2)CCCC4)nc(OCCc2cnccn2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.35
LMNA P02545 11/20 0.35
TP53 P04637 8/20 0.35
RORC P51449 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL13758971 0.90 MAPT (0.36) MAPTLMNATP53RORCMEN1
SCHEMBL423915 0.80 MAPT (0.39) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL13758986 0.77 MAPT (0.36) MAPTLMNATP53MEN1KMT2A
SCHEMBL14413185 0.77 MAPT (0.37) MAPTLMNATP53MEN1KMT2A
SCHEMBL14530422 0.75 CYP3A4 (0.32)
SCHEMBL425656 0.70 TYK2 (0.42) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL14413183 0.68 MAPT (0.38) MAPTLMNATP53MEN1KMT2A
SCHEMBL14413193 0.66 PIKFYVE (0.48) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL14530450 0.62 NPC1 (0.38) MAPTLMNATP53MEN1KMT2A
SCHEMBL6754541 0.58 MAPT (0.54) MAPTLMNATP53RORCMEN1

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
WO-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 WO disclosed
WO-2007100759-A2 METHOD FOR TREATING COMMON VARIABLE IMMUNODEFICIENCY SYNTA PHARMACEUTICALS CORP. (US) 2007-09-07 WO disclosed
WO-2007050980-A2 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-03 WO disclosed