Carbromal

Carbromal

SCHEMBL9724404

CCC(Br)(CC)C(=O)NC(N)=O.Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
ESR1 P03372 4/20 0.47
CYP19A1 P11511 4/20 0.47
ESR2 Q92731 4/20 0.47
POLB P06746 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MITF O75030 1/20 0.41
IDO1 P14902 2/20 0.41
GAA P10253 2/20 0.41
THRB P10828 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41

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
Carbromal SCHEMBL9724461 0.99 ALDH1A1 (0.47) ALDH1A1ESR1CYP19A1ESR2POLB
Carbromal SCHEMBL23051624 0.87 LMNA (0.37) ALDH1A1POLBKMT2AMEN1MAPT
Carbromal SCHEMBL9170995 0.80 CYP2C19 (0.42) ALDH1A1POLBKMT2AMEN1MAPT
Carbromal SCHEMBL4351621 0.77 CRBN (0.39) MAPT
Carbromal SCHEMBL15057476 0.77 CRBN (0.39) MAPT
4-Nitroaniline SCHEMBL7505578 0.77 ALDH1A1 (0.82) ALDH1A1ESR1CYP19A1ESR2POLB
4-Nitroaniline SCHEMBL28323077 0.76 ALDH1A1 (0.67) ALDH1A1ESR1CYP19A1ESR2KMT2A
Carbromal SCHEMBL23051626 0.76 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2NOS1
Carbromal SCHEMBL6249616 0.75 CRBN (0.37) MAPT
Carbromal SCHEMBL4352660 0.75 CRBN (0.37) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162489-A Containing a 1,1,3-trimethylphenylindane moiety AKZO N.V. (NL) 1992-11-10 US disclosed
US-4980504-A WHICH HAVE HIGH GLASS TRANSITION TEMPERATURES AKZO N.V. (NL) 1990-12-25 US disclosed