SCHEMBL14538232

SCHEMBL14538232

C=C(C)c1sc(NC(=O)NCCCCN(C)Cc2ccc(F)cc2)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.49
ACKR3 P25106 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LCK P06239 2/20 0.41
CYP2D6 P10635 4/20 0.38
PKM P14618 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
SCHEMBL4604183 0.93 GSK3A (0.52) CCR3ACKR3SMN1; SMN2MEN1KMT2A
SCHEMBL4604374 0.90 CCR3 (0.50) CCR3ACKR3SMN1; SMN2MEN1KMT2A
SCHEMBL14538507 0.88 LCK (0.47) CCR3ACKR3SMN1; SMN2MEN1KMT2A
SCHEMBL4606143 0.80 GSK3A (0.51) CCR3SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4604262 0.78 LCK (0.48) SMN1; SMN2NPC1RAB9AGSK3AGSK3B
SCHEMBL4891368 0.74 CCR3 (0.53) CCR3ACKR3MEN1KMT2ARAB9A
SCHEMBL4900572 0.71 CCR3 (0.62) CCR3ACKR3SMN1; SMN2MEN1KMT2A
SCHEMBL27719387 0.70 TMEM97 (0.60) CCR3ACKR3MEN1KMT2ARAB9A
SCHEMBL4605023 0.69 CCR3 (0.57) CCR3ACKR3KMT2ATMEM97SIGMAR1
SCHEMBL4603538 0.69 CCR3 (0.60) CCR3CYP2D6

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-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed