SCHEMBL29952009

SCHEMBL29952009

OB(O)c1cccc2cc(OC(F)F)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRM2 Q14416 1/20 0.35
ATM Q13315 1/20 0.35
ALOX15 P16050 1/20 0.35
GFER P55789 1/20 0.35
ADAM17 P78536 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM4 Q14833 1/20 0.35
PTGER4 P35408 1/20 0.34

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
SCHEMBL29954014 0.88 MTNR1A (0.40) MAPTTSHRMRGPRX4MEN1KMT2A
SCHEMBL29957321 0.84 NPC1 (0.37) MAPTTSHRMEN1KMT2ANPC1
SCHEMBL29952201 0.81 KIF11 (0.42) MRGPRX4KMT2AMTNR1AMTNR1B
SCHEMBL29955414 0.80 CYP1A2 (0.52) MTNR1AMTNR1B
SCHEMBL4080967 0.80 CYP1A2 (0.52) MTNR1AMTNR1B
SCHEMBL29952673 0.76 UGT2B7 (0.38) TSHRMEN1KMT2AATM
SCHEMBL17728138 0.73 CYP1A2 (0.43)
SCHEMBL29953232 0.73 CYP1A2 (0.43)
SCHEMBL16105620 0.72 ALOX5 (0.59) MRGPRX4MEN1KMT2ANPC1RAB9A
SCHEMBL12646813 0.72 CYP1A2 (0.52) MAPTTSHRMEN1KMT2AALOX15

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed