SCHEMBL7940102

SCHEMBL7940102

O=C(O)C1=CN(Cc2ccccc2)CC=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
MGLL Q99685 1/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
NOTUM Q6P988 2/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR2 P41597 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
SCHEMBL4726231 0.78 SIGMAR1 (0.39) GSK3AGSK3BMGLLALDH1A1KMT2A
SCHEMBL27446514 0.76 SIGMAR1 (0.41) GSK3AGSK3BMGLLALDH1A1POLB
SCHEMBL21516061 0.75 LMNA (0.41) GSK3AGSK3BMGLLALDH1A1POLB
SCHEMBL28861954 0.75 SIGMAR1 (0.39) GSK3AGSK3BMGLLALDH1A1POLB
SCHEMBL27791901 0.74 GSK3A (0.37) GSK3AGSK3BMGLLALDH1A1KMT2A
SCHEMBL10968159 0.73 SLC6A1 (0.46) ALDH1A1CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL6663998 0.72 KDM4E (0.35) GSK3AGSK3BMGLLALDH1A1KMT2A
SCHEMBL19815408 0.71 TSHR (0.35) GSK3AGSK3BPSEN1PSEN2APH1B
SCHEMBL6615747 0.70 GSK3A (0.43) GSK3AGSK3BMGLLALDH1A1KMT2A
SCHEMBL15520048 0.68 SIGMAR1 (0.44) ALDH1A1KMT2APOLBCYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6238542-B1 Water soluble brighteners for zinc and zinc alloy electrolytes CITIBANK, N.A. 2001-05-29 US claimed
US-6238542-B1 Water soluble brighteners for zinc and zinc alloy electrolytes CITIBANK, N.A. 2001-05-29 US disclosed
US-5405523-A Using aqueous bath containing ions of zinc and other transition metals and cationic polymer as brightener TASKEM INC. (US) 1995-04-11 US disclosed