SCHEMBL9702892

SCHEMBL9702892

CC(C)c1cc(Oc2ccccc2F)cc(C(C)C)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.43
ALDH1A1 P00352 2/20 0.40
ESR1 P03372 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
AR P10275 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
RCE1 Q9Y256 1/20 0.37
GCK P35557 2/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RHEB Q15382 1/20 0.36
LPAR1 Q92633 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
SCHEMBL9702388 0.81 XIAP (0.45) ALDH1A1GAASMN1; SMN2ARLMNA
SCHEMBL18332252 0.79 PARP10 (0.50) PARP10ALDH1A1ESR1MEN1KMT2A
SCHEMBL9628143 0.78 CARM1 (0.44) ALDH1A1CARM1PRMT6GAASMN1; SMN2
SCHEMBL4360185 0.78 MEN1 (0.47) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL9704630 0.77 AR (0.38) PARP10ALDH1A1ESR1CARM1PRMT6
SCHEMBL3941962 0.76 ALDH1A1 (0.37) ALDH1A1GAASMN1; SMN2P2RX3P2RX2
Hydrochloric Acid SCHEMBL9364864 0.76 MEN1 (0.50) ALDH1A1MEN1KMT2AGAASMN1; SMN2
Water SCHEMBL28207329 0.76 MEN1 (0.46) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL9702850 0.76 AR (0.36) PARP10ALDH1A1ESR1CARM1PRMT6
SCHEMBL18332182 0.75 ALDH1A1 (0.44) PARP10ALDH1A1ESR1MEN1KMT2A

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