SCHEMBL8701602

SCHEMBL8701602

C=CC1=CC(=C(C#N)C#N)CCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.34
USP2 O75604 5/20 0.34
HTT P42858 5/20 0.34
KMT2A Q03164 5/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
RECQL P46063 2/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR55 Q9Y2T6 1/20 0.31
GAA P10253 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL18327999 0.78 MEN1 (0.31) MEN1USP2HTTKMT2ALMNA
SCHEMBL23429865 0.74 FGF23 (0.39) MEN1USP2HTTKMT2ALMNA
SCHEMBL14613101 0.72 MEN1 (0.41) MEN1USP2HTTKMT2ALMNA
SCHEMBL16977319 0.71 MEN1 (0.36) MEN1USP2HTTKMT2ALMNA
SCHEMBL11192959 0.70 GAA (0.38) ALDH1A1GAA
SCHEMBL19911229 0.67 MEN1 (0.34) MEN1USP2HTTKMT2ALMNA
SCHEMBL20647235 0.67 MEN1 (0.34) MEN1USP2HTTKMT2ALMNA
SCHEMBL24798951 0.61 EGFR (0.34) MEN1USP2HTTKMT2ALMNA
SCHEMBL29141813 0.60 ALDH1A1 (0.38) MEN1USP2HTTKMT2ALMNA
SCHEMBL579388 0.60

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-5708178-A Thermally stable electro-optic device and method LOCKHEED MARTIN CORPORATION (US) 1998-01-13 US disclosed
US-5561733-A ACCEPTOR-DONOR-ACCEPTOR OR DONOR-ACCEPTOR-DONOR GUEST DIPOLE COMPOUNDS IN A TEMPERATURE-RESISTANCE POLYMER MATRIX LOCKHEAD MISSILES & SPACE COMPANY, INC. (US) 1996-10-01 US disclosed
US-5414791-A Thermally stable electro-optic device and method LOCKHEED MISSILES & SPACE COMPANY, INC. (US) 1995-05-09 US disclosed