SCHEMBL14596244

SCHEMBL14596244

C[n+]1c(C=C2C=CN(CCCCCC(=O)O)c3ccccc32)sc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.39
CREBBP Q92793 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
MAPT P10636 6/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCL1 Q07820 2/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL14596241 0.91 INSR (0.42) INSRCREBBPKAT2AKAT2BMAPT
SCHEMBL14596240 0.90 MEN1 (0.43) INSRMAPTKMT2AMEN1HTT
SCHEMBL20176262 0.89 MAPT (0.37) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11949226 0.86 MAPT (0.41) CREBBPKAT2AKAT2BMAPTKMT2A
SCHEMBL347455 0.86 MAPT (0.41) CREBBPKAT2AKAT2BMAPTKMT2A
SCHEMBL13646003 0.80 MAPT (0.41) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL14596242 0.79 CREBBP (0.34) CREBBPKAT2AKAT2BMAPTKMT2A
SCHEMBL20176261 0.78 MEN1 (0.32) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL13205886 0.77 MAPT (0.39) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL347151 0.77 HTT (0.38) MAPTKMT2AMEN1HTTSMN1; 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
US-7166715-B2 Nitro-substituted non-fluorescent asymmetric cyanine dye compounds APPLERA CORPORATION (US) 2007-01-23 US disclosed
US-7166715-B2 Nitro-substituted non-fluorescent asymmetric cyanine dye compounds APPLERA CORPORATION (US) 2007-01-23 US disclosed