SCHEMBL9675201

SCHEMBL9675201

CC(F)n1cnc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
HPGD P15428 1/20 0.64
KMT2A Q03164 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TDP1 Q9NUW8 1/20 0.46
HTT P42858 3/20 0.44
APAF1 O14727 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
TNF P01375 1/20 0.41
USP5 P45974 1/20 0.41
LMNA P02545 1/20 0.40
LCK P06239 2/20 0.40

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
SCHEMBL1027011 0.84 HPGD (0.68) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL2146965 0.84 MEN1 (0.68) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL477271 0.84 MEN1 (0.58) MEN1HPGDKMT2AHSD17B10TDP1
Hydrochloric Acid SCHEMBL9787788 0.82 HPGD (0.66) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL4233005 0.82 MEN1 (0.66) MEN1HPGDKMT2AHSD17B10TDP1
Bromide SCHEMBL10432863 0.82 HPGD (0.66) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL24942737 0.81 MEN1 (0.64) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL630931 0.81 MEN1 (0.64) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL14638103 0.81 MEN1 (0.64) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL250816 0.81 MEN1 (0.64) MEN1HPGDKMT2AHSD17B10TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP disclosed