SCHEMBL3298402

SCHEMBL3298402

C=C(CC)C(=O)NCCN

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAOB P27338 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
RRM1 P23921 1/20 0.30

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
SCHEMBL3293232 0.88 PAOX (0.44) PAOXMEN1KMT2AGNAI3GNAO1
SCHEMBL29573839 0.86 MEN1 (0.39) MEN1KMT2AALDH1A1TSHR
SCHEMBL9751668 0.84 PAOX (0.55) PAOXMEN1KMT2AMAOBGNAI3
SCHEMBL2560023 0.82 MMP1 (0.41) PAOXMEN1KMT2AALDH1A1
SCHEMBL14636002 0.80 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL24584600 0.78 ALDH1A1 (0.33) MEN1KMT2AALDH1A1CYP2C9HPGD
SCHEMBL11524825 0.78 EPHX1 (0.48) MEN1KMT2ATSHR
SCHEMBL15362535 0.78 ALOX15 (0.39) MEN1KMT2AALDH1A1CYP2C9HPGD
SCHEMBL50166 0.77
SCHEMBL7936208 0.77

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-7726802-B2 Ink set for inkjet recording, and image recording method and image recording apparatus FUJIFILM CORPORATION (JP) 2010-06-01 US disclosed
US-20070229577-A1 Ink set for inkjet recording, and image recording method and image recording apparatus FUJIFILM CORPORATION (JP) 2007-10-04 US disclosed
US-20070222832-A1 Ink tank assembly for inkjet system, and image forming apparatus FUJIFILM CORPORATION 2007-09-27 US disclosed