SCHEMBL16938347

SCHEMBL16938347

Cc1ccc(C2=NN(C(=O)CCC(=O)O)C(c3ccc(Br)cc3)C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ RNF114 Q9Y508 1/20 0.66
▸ RXRA P19793 1/20 0.64
▸ RXRB P28702 1/20 0.64
▸ RXRG P48443 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ GRIN2D O15399 1/20 0.61
▸ GRIN2C Q14957 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ ACHE P22303 1/20 0.60
▸ YAP1 P46937 1/20 0.60
▸ TEAD4 Q15561 1/20 0.60

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
SCHEMBL10050566 0.88 EGFR (0.64) MEN1KMT2ARNF114RXRARXRB
SCHEMBL14665712 0.86 RNF114 (0.60) MEN1KMT2ARNF114L3MBTL1GRIN2D
SCHEMBL27465865 0.86 RNF114 (0.88) MEN1KMT2ARNF114L3MBTL1MAPT
SCHEMBL246222 0.85 ALDH1A1 (0.65) RNF114L3MBTL1GRIN2DGRIN2CACHE
SCHEMBL10074852 0.83 POLB (0.68) MEN1KMT2ARNF114L3MBTL1
SCHEMBL14133876 0.83 KDM4E (0.80) MEN1KMT2ARXRARXRBRXRG
SCHEMBL31574504 0.82 MEN1 (0.59) MEN1KMT2ARNF114L3MBTL1GRIN2D
SCHEMBL3319335 0.82 KDM4E (0.70) MEN1KMT2ARXRARXRBRXRG
SCHEMBL12857571 0.81 YAP1 (0.74) RXRARXRBRXRGL3MBTL1YAP1
SCHEMBL14665638 0.80 MAPT (0.91) RXRARXRBRXRGMAPTNPSR1

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-9091678-B2 Method for identifying compounds useful for treating and/or preventing disease-associated bone loss CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-07-28 — — US disclosed
Send feedback