SCHEMBL9083147

SCHEMBL9083147

[CH]=CC(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP19A1 P11511 5/20 0.41
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 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
SCHEMBL9454788 0.80 TSHR (0.48) MEN1KMT2AMAPK1TSHRHIF1A
SCHEMBL1806495 0.78 MEN1 (0.52) MEN1KMT2ACYP19A1MAPK1TSHR
SCHEMBL20876285 0.78 KMT2A (0.52) MEN1KMT2ACYP19A1MAPK1TSHR
SCHEMBL2799509 0.76 MEN1 (0.50) MEN1KMT2ACYP19A1MAPK1TSHR
SCHEMBL9454477 0.76 RAB9A (0.37) MEN1KMT2ACYP19A1MAPK1SMN1; SMN2
SCHEMBL7147954 0.75 MAPK1 (0.44) KMT2AMAPK1TSHRHIF1ACYP2C19
SCHEMBL11044678 0.73 MEN1 (0.52) MEN1KMT2ACYP19A1MAPK1TSHR
SCHEMBL8582990 0.73 MEN1 (0.46) MEN1KMT2ACYP19A1MAPK1TSHR
SCHEMBL8582997 0.73 MEN1 (0.46) MEN1KMT2ACYP19A1MAPK1TSHR
SCHEMBL10586402 0.71 KMT2A (0.45) MEN1KMT2ACYP19A1MAPK1TSHR

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
US-5502054-A LARVACIDES FOR INSECTS SUCH AS TOBACCO BUDWORM FMC CORPORATION (US) 1996-03-26 US disclosed