SCHEMBL9196191

SCHEMBL9196191

COC(=O)Oc1ccnc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
AAK1 Q2M2I8 2/20 0.35
SORT1 Q99523 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
P2RX3 P56373 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
CYP1A2 P05177 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9565269 0.82 MTNR1A (0.38) MTNR1AMTNR1BAAK1KDM4EHPGD
SCHEMBL27813844 0.81 LMNA (0.39) MTNR1AMTNR1BSORT1KDM4EHPGD
SCHEMBL8393570 0.81 SORT1 (0.37) SORT1KDM4EHSD17B10GRM5ALDH1A1
SCHEMBL29230821 0.76 SORT1 (0.34) MTNR1AMTNR1BAAK1SORT1KDM4E
SCHEMBL6225917 0.75 KDM4E (0.48) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL30756042 0.74
SCHEMBL2632782 0.74
SCHEMBL9196304 0.73 KMT2A (0.54) KDM4EHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL9196259 0.73 CYP1A2 (0.53) KDM4ESMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL6648327 0.73 P2RX7 (0.41) AAK1KDM4EHPGDHSD17B10SMN1; SMN2

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