SCHEMBL9846302

SCHEMBL9846302

CC=C(C(=O)O)c1ccccc1Oc1cc(Oc2ccccc2NS)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCR2 P41597 6/20 0.35
MAPK8 P45983 2/20 0.35
MAPK10 P53779 2/20 0.35
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR1 P32246 1/20 0.34
KDR P35968 1/20 0.33
TNNI3K Q59H18 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CCR4 P51679 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL2873433 1.00 MEN1 (0.36) MEN1KMT2ACCR2MAPK8MAPK10
SCHEMBL2873428 0.90 KMT2A (0.36) MEN1KMT2ACCR2MAPK8MAPK10
SCHEMBL29363262 0.90 KMT2A (0.36) MEN1KMT2ACCR2MAPK8MAPK10
SCHEMBL248232 0.84 MEN1 (0.36) MEN1KMT2ACCR2MAPK8MAPK10
SCHEMBL248231 0.84 MEN1 (0.36) MEN1KMT2ACCR2MAPK8MAPK10
SCHEMBL2852233 0.83 MRGPRX1 (0.40) MEN1KMT2AMAPK8RAB9AL3MBTL1
SCHEMBL2857206 0.83 SMN1; SMN2 (0.44) MEN1KMT2ARAB9AHTTCYP1A2
SCHEMBL8975110 0.82 MEN1 (0.37) MEN1KMT2ACCR2MAPK8MAPK10
SCHEMBL2107519 0.82 KDR (0.32) KMT2AMAPK8MAPK10RAB9AATM
SCHEMBL6563664 0.82 SMN1; SMN2 (0.40) MEN1KMT2ACCR2RAB9AHTT

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-0415569-A2 Agrochemical compositions ZENECA LIMITED (GB) 1991-03-06 EP claimed