SCHEMBL9703462

SCHEMBL9703462

CC(C)c1cc(Oc2ccccc2F)cc(C(C)C)c1[N+](=C=N)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
PARP10 Q53GL7 1/20 0.35
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
GCK P35557 1/20 0.31
EGLN2 Q96KS0 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
MAPT P10636 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
SCHEMBL9702892 0.73 PARP10 (0.43) ARPARP10ALDH1A1ESR1SMN1; SMN2
SCHEMBL9702850 0.71 AR (0.36) ARPARP10ALDH1A1ESR1SMN1; SMN2
SCHEMBL9704630 0.69 AR (0.38) ARPARP10ALDH1A1ESR1SMN1; SMN2
SCHEMBL25962922 0.65 HTR2A (0.49) ARPARP10ALDH1A1GCKMAPT
SCHEMBL10417101 0.64 ALDH1A1 (0.45) PARP10ALDH1A1SMN1; SMN2LMNATP53
SCHEMBL15472270 0.63 PARP10 (0.51) PARP10ALDH1A1ESR1
SCHEMBL23872979 0.63 PARP10 (0.44) ARPARP10ALDH1A1ESR1MRGPRX1
SCHEMBL22167329 0.62 AR (0.49) AR
SCHEMBL22185235 0.62 DHODH (0.44) AR
SCHEMBL27777984 0.62 PARP10 (0.40) ARPARP10ALDH1A1ESR1GCK

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