SCHEMBL12425988

SCHEMBL12425988

CC=C(C)c1c(N(CC)CC)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ SIGMAR1 Q99720 3/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ NCEH1 Q6PIU2 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ELANE P08246 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12427178 0.79 MEN1 (0.49) KMT2AMEN1NPC1PLK1CYP1A2
SCHEMBL13466142 0.77 PLK1 (0.35) KMT2AMEN1NPC1PLK1SIGMAR1
SCHEMBL5535163 0.76 PTPN1 (0.47) KMT2AMEN1NPC1PLK1SIGMAR1
SCHEMBL10904256 0.75 PTPN22 (0.48) SIGMAR1MAPTKDM4ETDP1
SCHEMBL8584659 0.73 CYP2A6 (0.41) KMT2AMEN1NPC1PLK1SIGMAR1
SCHEMBL12425992 0.72 ALDH1A1 (0.52) ALDH1A1KDM4ELMNARAB9ATSHR
SCHEMBL2203473 0.71 NPC1 (0.48) KMT2AMEN1NPC1PLK1SIGMAR1
SCHEMBL29657743 0.70 SIGMAR1 (0.54) KMT2AMEN1NPC1PLK1SIGMAR1
SCHEMBL517207 0.70 SIGMAR1 (0.54) KMT2AMEN1NPC1PLK1SIGMAR1
SCHEMBL31040674 0.69 CYP2D6 (0.40) KMT2AMEN1NPC1PLK1SIGMAR1

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-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
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