SCHEMBL2203473

SCHEMBL2203473

CCN(CC)c1ccc2ccccc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.46
NCEH1 Q6PIU2 2/20 0.41
CYP2A6 P11509 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A3 P47895 1/20 0.38
HPRT1 P00492 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL8584659 0.79 CYP2A6 (0.41) NPC1SMN1; SMN2MAPTRAB9ACYP2A6
SCHEMBL10904256 0.78 PTPN22 (0.48) MAPTTDP1SIGMAR1KDM4E
SCHEMBL29657743 0.76 SIGMAR1 (0.54) NPC1MAPTCYP2A6ALDH1A1ELANE
SCHEMBL517207 0.76 SIGMAR1 (0.54) NPC1MAPTCYP2A6ALDH1A1ELANE
SCHEMBL23560405 0.76 POLB (0.47) NPC1SMN1; SMN2MAPTRAB9APOLB
Hydrochloric Acid SCHEMBL4747710 0.75 SIGMAR1 (0.53) NPC1MAPTCYP2A6ALDH1A1ELANE
Bromide SCHEMBL7412701 0.75 SIGMAR1 (0.53) NPC1MAPTCYP2A6ALDH1A1ELANE
SCHEMBL17065828 0.74 MAPT (0.41) NPC1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL2197815 0.74 SIGMAR1 (0.36) NPC1SMN1; SMN2MAPTRAB9ACYP2A6
SCHEMBL5535163 0.73 PTPN1 (0.47) NPC1SMN1; SMN2MAPTRAB9ANCEH1

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-1964861-B1 ACETYLENE-BASED POLYMER NAT INST OF ADVANCED IND SCIEN (JP) 2012-10-17 EP disclosed
US-7977441-B2 Acetylene-based polymer NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-07-12 US disclosed
US-20090253872-A1 Acetylene-Based Polymer NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-10-08 US disclosed
EP-1964861-A1 ACETYLENE POLYMER National Institute of Advanced Industrial Science and Technology (JP) 2008-09-03 EP disclosed