SCHEMBL11823985

SCHEMBL11823985

Cc1nnc2cc(-c3ccccc3Cl)c3ccccc3n12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
PBRM1 Q86U86 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BRD4 O60885 5/20 0.44
HSD11B1 P28845 5/20 0.43
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PDE2A O00408 3/20 0.40
PDE10A Q9Y233 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
MAPK14 Q16539 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
SCHEMBL11825860 0.88 MAT2A (0.48) SMN1; SMN2PBRM1L3MBTL1BRD4HSD11B1
SCHEMBL11826249 0.85 HSD11B1 (0.47) SMN1; SMN2PBRM1L3MBTL1BRD4HSD11B1
SCHEMBL11826377 0.82 PDE2A (0.47) SMN1; SMN2BRD4HSD11B1ALDH1A1PDE2A
SCHEMBL11819978 0.81 MAPT (0.41) SMN1; SMN2L3MBTL1BRD4HPGDALDH1A1
SCHEMBL11779422 0.77 KDM4E (0.61) SMN1; SMN2PBRM1L3MBTL1BRD4HPGD
SCHEMBL11825891 0.75 MAT2A (0.47) SMN1; SMN2PBRM1L3MBTL1BRD4HSD11B1
SCHEMBL11834615 0.72 MAT2A (0.64) SMN1; SMN2PBRM1L3MBTL1BRD4HSD11B1
SCHEMBL11828073 0.67 FNTA (0.46) SMN1; SMN2PBRM1L3MBTL1BRD4HSD11B1
SCHEMBL1599263 0.67 HPGD (0.41) SMN1; SMN2PBRM1L3MBTL1BRD4HPGD
SCHEMBL380188 0.66 ALDH1A1 (0.58) SMN1; SMN2HSD11B1HPGDALDH1A1KDM4E

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-4000153-A TRANQUILIZERS, SEDATIVES THE UPJOHN COMPANY (US) 1976-12-28 US disclosed
US-4000151-A TRANQUILIZERS, SEDATIVES THE UPJOHN COMPANY (US) 1976-12-28 US disclosed