SCHEMBL4741472

SCHEMBL4741472

C[N+](C)(CCCOc1ccc(Cl)c(Cl)c1)Cc1cnc(C(O)(c2ccccc2)C2CCCC2)o1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
MEN1 O00255 7/20 0.34
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ATM Q13315 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL523560 0.99 CYP19A1 (0.35) KCNH2MEN1CYP19A1KDM4EALDH1A1
SCHEMBL523559 0.99 CYP19A1 (0.35) KCNH2MEN1CYP19A1KDM4EALDH1A1
Bromide SCHEMBL1179776 0.98 CYP19A1 (0.35) KCNH2MEN1CYP19A1KDM4EALDH1A1
Bromide SCHEMBL1179774 0.98 CYP19A1 (0.35) KCNH2MEN1CYP19A1KDM4EALDH1A1
SCHEMBL4743192 0.95 CYP19A1 (0.36) KCNH2MEN1CYP19A1KDM4EALDH1A1
SCHEMBL4743190 0.95 CYP19A1 (0.36) KCNH2MEN1CYP19A1KDM4EALDH1A1
SCHEMBL4742435 0.90 MEN1 (0.38) MEN1KMT2A
SCHEMBL4742433 0.90 MEN1 (0.38) MEN1KMT2A
SCHEMBL1109901 0.90 CYP19A1 (0.39) KCNH2MEN1CYP19A1KMT2ALMNA
SCHEMBL1109903 0.90 CYP19A1 (0.39) KCNH2MEN1CYP19A1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO claimed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed