SCHEMBL7653083

SCHEMBL7653083

COc1cccc(C(NC(=O)Cc2c(Cl)cncc2Cl)C2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 2/20 0.47
ROCK2 O75116 3/20 0.42
PRKG1 Q13976 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
AKT1 P31749 1/20 0.41
PDE4D Q08499 1/20 0.41
UGCG Q16739 1/20 0.41
GRK2 P25098 1/20 0.40
GRK5 P34947 1/20 0.40
GRK3 P35626 1/20 0.40

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
SCHEMBL7655897 0.80 MTNR1A (0.45) POLBROCK2PRKG1
SCHEMBL7408317 0.76 MTNR1A (0.51) SMN1; SMN2PDE4DGRK2GRK5GRK3
SCHEMBL7655794 0.76 ALDH1A1 (0.45) ALDH1A1ROCK2SMN1; SMN2PDE4D
SCHEMBL7656731 0.76 MTNR1A (0.43) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7658025 0.76 MTNR1A (0.53) SMN1; SMN2PDE4DGRK2GRK5GRK3
SCHEMBL7653203 0.74 MTNR1A (0.51) PDE4DGRK2GRK5GRK3
SCHEMBL7377866 0.74 MTNR1A (0.48) MEN1KMT2AROCK2SMN1; SMN2PDE4D
SCHEMBL7411156 0.69 MTNR1A (0.52) MEN1KMT2APDE4D
SCHEMBL7658223 0.69 MTNR1A (0.52) MEN1KMT2APDE4D
SCHEMBL7100679 0.67 POLB (0.55) MEN1KMT2AALDH1A1MAPK1POLB

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-6376429-B1 CONTROLLING WEEDS HOECHST SCHERING AGREVO GMBH (DE) 2002-04-23 US claimed
US-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed