SCHEMBL9704788

SCHEMBL9704788

CC(C)c1cc(Oc2ccccc2Cl)cc(C(C)C)c1N=C=NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.37
AR P10275 2/20 0.35
SLC6A4 P31645 5/20 0.34
HTR2A P28223 4/20 0.34
KCNH2 Q12809 3/20 0.34
DPP4 P27487 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KMT2A Q03164 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ADRB2 P07550 1/20 0.30

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
SCHEMBL9702850 0.85 AR (0.36) ARLMNASMN1; SMN2
SCHEMBL10396553 0.83 CARM1 (0.37) AR
SCHEMBL2764978 0.83 BCL2 (0.35) KMT2A
SCHEMBL9701890 0.82 XIAP (0.40) XIAPARSLC6A4HTR2AKCNH2
SCHEMBL9702388 0.76 XIAP (0.45) XIAPARSLC6A4HTR2AKCNH2
SCHEMBL8845542 0.71 LTA4H (0.40) KMT2A
SCHEMBL8341904 0.70 ALDH1A1 (0.37) LMNASMN1; SMN2KMT2A
SCHEMBL9636852 0.70 NPY5R (0.32)
SCHEMBL9777726 0.68 CYP1A2 (0.38) LMNASMN1; SMN2KMT2A
SCHEMBL9704630 0.67 AR (0.38) ARSLC6A4HTR2AKCNH2LMNA

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-0481921-A1 Substituted carbodiimides and thio-ureas and their utilisation against insects CIBA-GEIGY AG (CH) 1992-04-22 EP claimed
EP-0481921-A1 Substituted carbodiimides and thio-ureas and their utilisation against insects CIBA-GEIGY AG (CH) 1992-04-22 EP disclosed