SCHEMBL9688569

SCHEMBL9688569

CC(C(=O)O)n1nnnc1-c1sc(Cl)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.41
PRNP P04156 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 2/20 0.40
USP5 P45974 1/20 0.34
MAPT P10636 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MGLL Q99685 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
GRM6 O15303 1/20 0.31
MAP3K5 Q99683 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9689439 0.88 KDM4E (0.45) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9688573 0.83 ALDH1A1 (0.47) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9689433 0.81 ALDH1A1 (0.49) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9688895 0.78 KDM4E (0.43) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL8947138 0.76 KMT2A (0.49) KDM4EALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL9689975 0.74 GPR139 (0.37) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9469693 0.73 KDM4E (0.46) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9689989 0.73 APP (0.45) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9690579 0.72 KDM4E (0.45) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9688900 0.71 KDM4E (0.41) KDM4EALDH1A1PRNPHPGDRAB9A

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-0506011-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-30 EP disclosed