SCHEMBL7416660

SCHEMBL7416660

O=C(O)c1cccc2c1OC1C=CCC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.42
CYP2C9 P11712 1/20 0.37
NR4A1 P22736 4/20 0.36
PTPN7 P35236 5/20 0.36
HSPA1A P0DMV8 4/20 0.36
HSPA8 P11142 3/20 0.36
CD44 P16070 1/20 0.36
MSN P26038 1/20 0.36
BRD4 O60885 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
GAPDH P04406 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL7416662 1.00 CDC25B (0.42) CDC25BCYP2C9NR4A1PTPN7HSPA1A
SCHEMBL10545096 0.74 CDC25B (0.50) CDC25BCYP2C9NR4A1PTPN7HSPA1A
SCHEMBL7418984 0.71 CYP2C9 (0.39) CDC25BCYP2C9BRD4KDM4EMAPT
SCHEMBL9509212 0.71 CYP2C9 (0.39) CDC25BCYP2C9BRD4KDM4EMAPT
SCHEMBL5196202 0.67 ALDH1A1 (0.50) CDC25BCYP2C9NR4A1KDM4EPOLB
SCHEMBL8487411 0.66 TSHR (0.45) CDC25BCYP2C9TDP1KDM4EMEN1
SCHEMBL8133538 0.66 CYP2C9 (0.42) CDC25BCYP2C9NR4A1BRD4MAPT
SCHEMBL2926588 0.65 BRD4 (0.51) CYP2C9NR4A1BRD4KDM4EMAPT
SCHEMBL10590358 0.65 CYP2C9 (0.41) CDC25BCYP2C9BRD4MEN1MAPT
SCHEMBL10591479 0.65 CYP2C9 (0.41) CDC25BCYP2C9BRD4MEN1MAPT

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-5288731-A Antiemetics, antiserotonine agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-02-22 US disclosed
WO-1992009284-A1 2,6-METHANO-2H-1-BENZOXOCINCARBOXAMIDES AS 5-HT3-ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-06-11 WO disclosed