SCHEMBL29952201

SCHEMBL29952201

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
PIM1 P11309 1/20 0.38
PPM1A P35813 2/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
GPR3 P46089 3/20 0.37
ACP1 P24666 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.35
MAPK7 Q13164 1/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL29956515 0.88 TRPV1 (0.43) KIF11PPM1AMTNR1AMTNR1BGPR3
SCHEMBL29951136 0.84 ACP1 (0.41) KIF11PIM1GPR3ACP1TRPV1
SCHEMBL29952009 0.81 MAPT (0.37) MTNR1AMTNR1BKMT2AMRGPRX4
SCHEMBL4080967 0.80 CYP1A2 (0.52) MTNR1AMTNR1B
SCHEMBL29955414 0.80 CYP1A2 (0.52) MTNR1AMTNR1B
SCHEMBL16289920 0.79 CYP1A2 (0.52) KIF11PIM1PPM1AMTNR1AMTNR1B
SCHEMBL17288377 0.76 KIF11 (0.43) KIF11PIM1PPM1AMTNR1AMTNR1B
SCHEMBL4074876 0.76 KIF11 (0.45) KIF11PIM1PPM1AGPR3KDM4E
SCHEMBL16289917 0.76 KIF11 (0.45) KIF11PIM1PPM1AGPR3KDM4E
SCHEMBL29955583 0.76 MGLL (0.49) KIF11GAAKMT2A

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