SCHEMBL9196259

SCHEMBL9196259

COC(=O)Oc1cc(OC)nc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
PDE2A O00408 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CTSA P10619 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL9196304 0.85 KMT2A (0.54) CYP1A2ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL9194034 0.85 LMNA (0.56) CYP1A2ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL9191091 0.83 ALDH1A1 (0.48) CYP1A2ALDH1A1KDM4EPDE2ASMN1; SMN2
SCHEMBL8720788 0.81 CYP1A2 (0.56) CYP1A2ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL423183 0.79 PDE2A (0.61) CYP1A2ALDH1A1KDM4EPDE2ASMN1; SMN2
SCHEMBL7008162 0.75 EDNRB (0.48) CYP1A2ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL9196695 0.75 LMNA (0.45) CYP1A2ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL9423136 0.74 ALDH1A1 (0.56) CYP1A2ALDH1A1KDM4EPDE2ASMN1; SMN2
SCHEMBL7609731 0.73 HSD17B10 (0.42) CYP1A2ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9196191 0.73 MTNR1A (0.38) CYP1A2ALDH1A1KDM4ESMN1; SMN2LMNA

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
EP-0497851-B1 SULPHONATED HETEROCYCLIC CARBOXAMIDES AS HERBICIDES, GROWTH REGULATORS OR FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-01-04 EP disclosed
WO-1991006541-A1 SULPHONATED HETEROCYCLIC CARBOXAMIDES AS HERBICIDES, GROWTH REGULATORS OR FUNGICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-16 WO disclosed