SCHEMBL20207409

SCHEMBL20207409

N#CCCCN(CCC#N)c1ccc(N(c2ccc(N(CCC#N)CCC#N)cc2)c2ccc(N(c3ccc(N(CCC#N)CCC#N)cc3)c3ccc(N(CCC#N)CCC#N)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CRHR1 P34998 2/20 0.36
HTT P42858 1/20 0.34
ALDH1A1 P00352 4/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIA2 P42262 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNA3 P22001 1/20 0.32
KCNN4 O15554 1/20 0.32
KCNA5 P22460 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 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
SCHEMBL2005077 0.96 TSHR (0.36) TSHRCRHR1HTTALDH1A1USP2
SCHEMBL3117019 0.96 TSHR (0.36) TSHRCRHR1HTTALDH1A1USP2
SCHEMBL7602428 0.92 TSHR (0.40) TSHRCRHR1HTTALDH1A1USP2
SCHEMBL20207415 0.92 TSHR (0.40) TSHRCRHR1HTTALDH1A1USP2
SCHEMBL6020194 0.90 MLYCD (0.37) TSHRCRHR1HTTALDH1A1USP2
SCHEMBL14947359 0.81 CYP2C19 (0.40) TSHRALDH1A1HSD17B10GRIA2NPC1
SCHEMBL12237636 0.79 TSHR (0.33) TSHRCRHR1HTTALDH1A1USP2
SCHEMBL7452206 0.78 CYP3A4 (0.47) TSHRCRHR1ALDH1A1HPGDMAPK1
SCHEMBL9323694 0.77 HSD17B10 (0.44) TSHRCRHR1ALDH1A1USP2HSD17B10
SCHEMBL6553722 0.77 CRHR1 (0.41) TSHRCRHR1HTTALDH1A1HPGD

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-10195886-B2 Thermal transfer recording sheet set and image forming method CANON KABUSHIKI KAISHA (JP) 2019-02-05 US disclosed
US-20180147875-A1 THERMAL TRANSFER RECORDING SHEET SET AND IMAGE FORMING METHOD CANON KABUSHIKI KAISHA (JP) 2018-05-31 US disclosed