SCHEMBL9577977

SCHEMBL9577977

C=CC(=O)N(CCCN)CCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
TSHR P16473 2/20 0.32
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
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

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
SCHEMBL20749877 0.91 ZDHHC20 (0.49) ZDHHC20ZDHHC2TSHRLMNATHRB
SCHEMBL27555251 0.90 ZDHHC20 (0.49) ZDHHC20ZDHHC2TSHRTHRBALDH1A1
SCHEMBL27522749 0.90 ZDHHC20 (0.53) ZDHHC20ZDHHC2TSHRTHRBKMT2A
SCHEMBL18626280 0.89 ZDHHC20 (0.59) ZDHHC20ZDHHC2TSHRTHRBKMT2A
SCHEMBL12328467 0.89 ZDHHC20 (0.41) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL12328673 0.89 ZDHHC20 (0.41) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL3357464 0.88 ZDHHC20 (0.46) ZDHHC20ZDHHC2TSHRLMNACYP1A2
SCHEMBL8629377 0.88 ALDH1A1 (0.44) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL10485732 0.86 ZDHHC20 (0.38) ZDHHC20ZDHHC2TSHRLMNAALDH1A1
SCHEMBL27902777 0.85 ZDHHC20 (0.51) ZDHHC20ZDHHC2TSHRKMT2AALDH1A1

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
EP-2363437-A2 Ink composition, ink set and image forming method Fujifilm Corporation (JP) 2011-09-07 EP disclosed
US-5236993-A Using epichlorohydrin ISP INVESTMENTS INC. (US) 1993-08-17 US disclosed