SCHEMBL3830101

SCHEMBL3830101

O=C(O)N(Cc1cccc(I)c1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCL2A1 Q16548 1/20 0.43
HTR2A P28223 2/20 0.43
MAPK14 Q16539 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 1/20 0.41
MEP1B Q16820 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3065671 0.81 KCNQ4 (0.41) HTR2ACHRM2CHRM1CHRM3LMNA
SCHEMBL4237307 0.78 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL19868563 0.78 LOXL2 (0.51) ALDH1A1KDM4EMEN1KMT2AMEP1B
SCHEMBL28986105 0.76 NPC1 (0.61) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL4089396 0.76 CHRM2 (0.52) ALDH1A1MEN1KMT2ACHRM2CHRM1
SCHEMBL6831433 0.76 LTB4R2 (0.54) MEN1KMT2AMAPK14RAB9ALTB4R2
SCHEMBL4737056 0.76 CHRM2 (0.47) ALDH1A1KDM4ETSHRMAPK14CHRM2
SCHEMBL1335750 0.75 MAPK14 (0.54) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL6827496 0.74 RAB9A (0.53) ALDH1A1MEN1KMT2ACHRM2CHRM1
SCHEMBL14809509 0.74 BCL2A1 (0.51) ALDH1A1KDM4ETSHRMEN1KMT2A

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-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed