SCHEMBL8961799

SCHEMBL8961799

CC1=C([Ti](C2=C(C)C=CC2)c2ccccc2C(F)(F)F)CC=C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL9005137 0.98 HSD11B1 (0.31) HSD11B1MEN1KMT2A
SCHEMBL7941146 0.92 MEN1 (0.30) MEN1KMT2A
Thiocyanic Acid SCHEMBL9004794 0.92
Hydrochloric Acid SCHEMBL9547761 0.83 HTR2C (0.31) HSD11B1
SCHEMBL9004769 0.76 HSD11B1 (0.31) HSD11B1MEN1KMT2A
Thiocyanic Acid SCHEMBL9004779 0.69 AR (0.30)
SCHEMBL5087643 0.66 MRGPRX1 (0.34) HSD11B1
Hydrochloric Acid SCHEMBL9005130 0.65 HSD11B1 (0.31) HSD11B1MEN1KMT2A
SCHEMBL9004830 0.62 HSD11B1 (0.33) HSD11B1
SCHEMBL8383465 0.59

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-5554663-A α-aminoacetophenones as photoinitiators CIBA-GEIGY CORPORATION (US) 1996-09-10 US disclosed