SCHEMBL7708697

SCHEMBL7708697

CCC1(c2ccc(Cl)cc2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
CNR1 P21554 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 6/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 3/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
OPRM1 P35372 1/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL7711634 0.80 KMT2A (0.37) ELANECNR1ALDH1A1KMT2AKDM4E
SCHEMBL7711500 0.72 LMNA (0.37) HSD11B1ALDH1A1HPGDGAALMNA
SCHEMBL5858164 0.69 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2GAALMNA
SCHEMBL7711670 0.69 LMNA (0.35) HSD11B1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL31611892 0.68 ALDH1A1 (0.38) ALDH1A1KDM4EMAPK1SMN1; SMN2GAA
SCHEMBL7711648 0.66 SIGMAR1 (0.39) ALDH1A1MAPTHTTOPRM1POLB
SCHEMBL23089084 0.65 MAPK1 (0.33) MAPK1HTT
SCHEMBL7708734 0.65 MGAT2 (0.38) ALDH1A1MAPTGAANPSR1OPRM1
SCHEMBL7713901 0.65 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL7712011 0.64 BCL2L1 (0.34) HSD11B1ALDH1A1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed