SCHEMBL4740592

SCHEMBL4740592

C[N+](C)(CCOCCc1ccccc1)Cc1cnc(C(O)(c2ccccc2)C2CCC2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
KCNH2 Q12809 4/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
APAF1 O14727 3/20 0.35
USP2 O75604 3/20 0.35
TP53 P04637 3/20 0.35
CHRM2 P08172 3/20 0.35
MAPT P10636 3/20 0.35
CHRM1 P11229 3/20 0.35
RAD52 P43351 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.35
ERBB2 P04626 2/20 0.35
FYN P06241 2/20 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
SCHEMBL4742397 0.98 LMNA (0.36) HRH1LMNAMEN1ALDH1A1KMT2A
SCHEMBL4743343 0.97 CHRM2 (0.36) HRH1LMNAMEN1ALDH1A1KMT2A
SCHEMBL524177 0.97 CHRM2 (0.36) HRH1LMNAMEN1ALDH1A1KMT2A
SCHEMBL524178 0.97 CHRM2 (0.36) HRH1LMNAMEN1ALDH1A1KMT2A
SCHEMBL4743216 0.97 CHRM2 (0.36) HRH1LMNAMEN1ALDH1A1KMT2A
Bromide SCHEMBL1109911 0.96 CHRM2 (0.36) HRH1LMNAMEN1ALDH1A1KMT2A
Bromide SCHEMBL1109913 0.96 CHRM2 (0.36) HRH1LMNAMEN1ALDH1A1KMT2A
SCHEMBL4743400 0.92 CHRM2 (0.36) HRH1LMNAMEN1ALDH1A1KMT2A
SCHEMBL4743394 0.92 CHRM2 (0.36) HRH1LMNAMEN1ALDH1A1KMT2A
SCHEMBL4742443 0.92 CHRM2 (0.36) HRH1LMNAMEN1ALDH1A1KMT2A

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