SCHEMBL6961978

SCHEMBL6961978

CC(C)(C)OC(=O)N/N=C1\CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.67
HTT P42858 2/20 0.57
MAPT P10636 13/20 0.56
RAB9A P51151 8/20 0.55
NPC1 O15118 6/20 0.55
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.51
PKM P14618 1/20 0.50
CASP6 P55212 1/20 0.50

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
SCHEMBL6961982 1.00 SMN1; SMN2 (0.67) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL17808122 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL6963872 0.82 MAPT (0.65) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL6963874 0.82 MAPT (0.65) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL5754525 0.80 HPGD (0.50) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL20583519 0.79 CASP6 (0.60) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL20583518 0.79 CASP6 (0.60) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL4554299 0.79 SMN1; SMN2 (0.67) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL14938472 0.78 SMN1; SMN2 (0.64) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL28657822 0.78 KMT2A (0.49) SMN1; SMN2HTTMAPTRAB9ANPC1

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
EP-1023063-B1 INDENO[1,2-c], NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES ABBOTT GMBH & CO KG (DE) 2003-09-10 EP disclosed