SCHEMBL11031956

SCHEMBL11031956

[NH]C(=O)NN(CCCN)CCCN

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
THRB P10828 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRR2 P28476 1/20 0.32
SLC6A1 P30531 1/20 0.32
GABRA5 P31644 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
SCHEMBL9456802 0.79 CA12 (0.46) ALDH1A1
SCHEMBL30732943 0.70 DNM1 (0.43) KMT2ATSHRPAOXMEN1ALDH1A1
SCHEMBL11031957 0.68 LMNA (0.32) LMNATHRBBLMKMT2ANPSR1
SCHEMBL7297012 0.64
SCHEMBL8900231 0.63 NFKB1 (0.40) LMNATHRBBLMKMT2ANPSR1
SCHEMBL14609818 0.61 ALOX15 (0.54) LMNAKMT2ACYP1A2TSHRPAOX
SCHEMBL9456807 0.60 CA1 (0.46) NPSR1ALDH1A1ALOX15
SCHEMBL10627631 0.60 LMNA (0.56) LMNATHRBBLMKMT2ANPSR1
SCHEMBL7131638 0.60 TDP1 (0.52) LMNABLMCYP1A2TSHRPAOX
SCHEMBL19925599 0.60 LMNA (0.43) LMNATHRBBLMKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041651-B1 PROCESS FOR PRODUCING WET STRENGTH AGENTS FOR PAPER HERCULES INCORPORATED (US) 1985-08-14 EP disclosed
US-4419500-A ALLYL HALIDE, HYPOHALOUS ACID HERCULES INCORPORATED (US) 1983-12-06 US disclosed
US-4419498-A REACTION WITH ALLYL HALIDE AND HYPOHALOUS ACID HERCULES INCORPORATED (US) 1983-12-06 US disclosed
US-4354006-A QUATERNIZATION OF TERTIARY AMINE WITH ALLYL HALIDE FOLLOWED BY REACTION WITH HYPOHALGUS ACID HERCULES INCORPORATED (US) 1982-10-12 US disclosed