SCHEMBL6629671

SCHEMBL6629671

O=CC(O)(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PDPK1 O15530 1/20 0.37
G6PD P11413 1/20 0.36
AKR1C3 P42330 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL863162 0.89 KDM4E (0.44) ALDH1A1TDP1MAPK1KDM4EKMT2A
SCHEMBL6631834 0.82 SMN1; SMN2 (0.42) ALDH1A1TDP1MAPK1MEN1KMT2A
SCHEMBL11619282 0.82 KDM4E (0.41) KIF11ALDH1A1TDP1MAPK1MAOA
SCHEMBL28197407 0.81 CYP1A2 (0.40) ALDH1A1TDP1MAPK1KDM4EKMT2A
SCHEMBL15419956 0.81 ESR2 (0.54) KIF11ALDH1A1TDP1KDM4ELMNA
SCHEMBL10839093 0.79 MEN1 (0.49) KIF11ALDH1A1MAPK1KDM4EMEN1
SCHEMBL811710 0.79 KMT2A (0.45) KIF11ALDH1A1MAPK1PDPK1MEN1
SCHEMBL4020288 0.79 KCNN4 (0.53) KIF11ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL5528030 0.78 ALDH1A1 (0.43) KIF11ALDH1A1TDP1MAPK1MAOA
SCHEMBL10538145 0.78 ALDH1A1 (0.43) KIF11ALDH1A1TDP1MAPK1MAOA

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-1425283-A1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-06-09 EP disclosed
WO-2003018589-A1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-03-06 WO disclosed