SCHEMBL29614533

SCHEMBL29614533

CCn1nc(C(=O)OC)c2c(Br)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM2 Q14416 1/20 0.41
ELANE P08246 5/20 0.39
F2 P00734 2/20 0.39
PLAU P00749 2/20 0.39
NR4A2 P43354 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.38
PTGER4 P35408 1/20 0.37

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
SCHEMBL22776629 1.00 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL22776577 0.86 GRM2 (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL20605096 0.82 KDM4E (0.43) ALDH1A1KDM4EMEN1KMT2AELANE
SCHEMBL20605174 0.78 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2600883 0.78 KDM4E (0.40) ALDH1A1KDM4EMEN1KMT2AELANE
SCHEMBL29614427 0.78 KDM4E (0.40) ALDH1A1KDM4EMEN1KMT2AELANE
SCHEMBL26204710 0.77 ELANE (0.59) ALDH1A1KDM4EKMT2AELANEF2
SCHEMBL22776742 0.76 KDM4E (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL22776444 0.74 PTGER4 (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL28220632 0.73 GRM2 (0.50) GRM2

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-3983412-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF Teon Therapeutics, Inc. (US) 2022-04-20 EP disclosed